data_2k3w_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 2k3w _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.987 0.422 . . . . 1.0 110.413 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -61.65 -43.87 98.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.206 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.51 -43.0 95.45 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.44 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.23 -43.62 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -63.12 -41.55 99.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.94 79.08 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.327 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 13' ' ' VAL . 85.6 mt -63.84 -42.43 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.052 0.929 . . . . 1.0 109.712 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -58.88 -48.54 81.05 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.325 -0.859 . . . . 1.0 110.575 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.97 -42.5 97.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.454 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -66.84 -40.13 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 1.0 110.609 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.503 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 m -56.56 -51.75 67.4 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 1.0 109.102 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.8 ttpt -61.01 -41.58 96.83 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.188 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.9 62.65 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.716 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.3 p -64.86 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.653 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -63.39 -38.91 92.98 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.024 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.76 -40.62 84.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.85 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 41.5 t0 -58.86 -41.33 86.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.723 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 23' ' ' LYS . 23.2 mttt -66.29 -39.44 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.18 8.3 1.73 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.489 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.0 mmtt 68.33 29.35 5.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.14 69.38 1.15 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.759 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.54 -40.04 77.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.432 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -54.16 44.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.991 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -63.88 -45.14 90.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.418 -0.513 . . . . 1.0 109.782 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.49 90.97 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.218 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.79 -45.73 91.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.325 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 mtp-105 -60.25 -43.58 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.33 -38.89 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.26 -47.75 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 1.0 110.604 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.45 -40.27 96.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.361 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.603 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.27 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.242 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.13 -43.33 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.633 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -54.91 -49.13 72.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.989 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.45 -38.69 91.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -60.89 -48.49 81.56 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.128 0.49 . . . . 1.0 110.593 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.39 -37.85 88.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.496 0.665 . . . . 1.0 110.065 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -67.61 -31.15 70.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.572 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.25 -47.11 68.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.722 0.772 . . . . 1.0 111.683 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 10.1 pt -66.16 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.995 -0.682 . . . . 1.0 111.804 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 112.795 0.665 . . . . 1.0 112.795 -179.765 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.7 mptp? -53.84 -49.9 67.4 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.473 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.02 -39.21 68.87 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -62.23 -44.4 96.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.324 -0.551 . . . . 1.0 110.004 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -67.61 -45.06 85.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.293 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.46 -36.68 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.857 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.443 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -70.31 -50.68 36.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.058 0.932 . . . . 1.0 110.766 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -66.82 -36.46 82.42 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.787 -0.571 . . . . 1.0 110.335 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.3 m -56.48 -50.78 70.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.214 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.3 p -63.34 -28.99 46.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.663 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -71.09 -46.36 61.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.509 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.7 m-85 -62.82 -48.17 80.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.585 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.35 -49.83 76.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.06 -0.656 . . . . 1.0 110.445 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.73 -45.78 49.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.536 -0.466 . . . . 1.0 109.852 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 18.9 mmm180 -61.25 -44.06 97.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.422 0.629 . . . . 1.0 109.627 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.77 81.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.205 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.33 -55.59 23.34 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.333 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -61.26 -37.1 81.92 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.45 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.1 -47.97 83.66 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.417 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -72.65 -22.81 60.88 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.193 -0.912 . . . . 1.0 110.7 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.81 -56.66 9.44 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.673 0.619 . . . . 1.0 112.673 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.7 p90 -76.72 -29.28 56.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.297 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.33 -0.281 0 C-N-CA 120.21 -0.596 . . . . 1.0 109.441 179.27 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 N--CA 1.496 1.662 0 CA-C-O 120.889 0.287 . . . . 1.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -115.32 126.32 54.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.291 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.34 143.12 19.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.772 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 122.121 1.881 . . . . 1.0 111.808 179.347 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.424 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.86 -40.73 94.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.106 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -45.52 84.33 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.076 0.465 . . . . 1.0 110.743 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -58.73 -43.4 90.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.359 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -64.25 -44.26 92.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.657 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.6 79.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.238 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.626 ' O ' HG13 ' A' ' 13' ' ' VAL . 96.6 mt -63.98 -42.65 96.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-O 121.927 0.87 . . . . 1.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.24 -47.92 82.02 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 121.567 -0.708 . . . . 1.0 110.682 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.46 -44.08 95.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.34 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 10' ' ' ILE . 2.4 p -67.09 -39.51 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.777 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.4 m -56.81 -51.54 68.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.418 0.628 . . . . 1.0 109.398 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.3 ttpt -62.65 -41.2 98.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.445 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.05 -43.54 63.82 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.404 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 14' ' ' THR . 38.0 p -65.46 -38.83 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.737 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -65.66 -37.41 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.661 . . . . 1.0 110.288 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.69 -40.55 76.29 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.591 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.33 -41.34 88.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.166 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.3 mttt -66.1 -38.81 89.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.041 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 9.88 1.43 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.57 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 21' ' ' LYS . 40.7 mmtm 67.25 27.66 8.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.767 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.18 68.4 1.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 1.0 109.903 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.5 m-85 -56.85 -42.81 80.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 81.0 mt-10 -59.74 -55.34 35.56 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.266 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -63.55 -45.37 90.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.334 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.22 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.262 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.25 -46.51 85.84 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 121.019 -0.272 . . . . 1.0 111.147 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -59.33 -42.94 92.65 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.476 -178.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.05 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.462 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.36 -49.34 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.56 -42.31 98.35 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.666 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -63.95 -50.12 69.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.728 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.67 71.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.621 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.31 -43.0 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.342 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -55.67 -48.59 74.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -62.7 -38.99 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.569 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -61.68 -51.17 69.54 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.111 0.481 . . . . 1.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.43 -38.75 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -66.05 -34.1 77.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.497 0.665 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.7 79.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.804 0.812 . . . . 1.0 111.565 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -66.95 -33.59 64.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.527 -0.469 . . . . 1.0 111.595 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.229 0.538 . . . . 1.0 112.124 -179.699 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.218 -0.581 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -53.92 14.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.609 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.56 -40.58 60.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.029 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -63.99 -42.87 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 52' ' ' ALA . 14.7 mm -66.92 -46.58 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.501 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.61 -59.25 5.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 1.0 110.251 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.28 45.8 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.956 0.408 . . . . 1.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 17.6 mmmt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.51 -40.6 62.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.729 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.13 -48.55 83.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 1.0 109.838 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -54.66 -46.37 73.99 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.496 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.48 -51.04 69.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.999 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.89 -51.24 70.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.268 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -47.33 -47.81 25.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.233 -0.284 . . . . 1.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -59.68 -44.61 93.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.41 0.624 . . . . 1.0 110.09 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.14 81.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.485 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.55 -56.18 15.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HZ1' ' CB ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -59.18 -36.96 76.25 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 120.84 0.352 . . . . 1.0 110.308 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.18 -47.37 86.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.559 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -72.17 -23.25 61.25 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.43 -0.805 . . . . 1.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.46 -57.34 7.57 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.454 0.645 . . . . 1.0 112.698 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.61 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -78.12 -27.99 48.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.408 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.612 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.547 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 33.8 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 CA-C-O 120.81 0.254 . . . . 1.0 112.217 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' B' ' 173' ' ' VAL . 11.9 tm-20 -100.24 125.73 46.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.664 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . 0.406 ' O ' ' OE2' ' B' ' 172' ' ' GLU . 0.0 OUTLIER -53.47 134.29 53.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.929 -179.366 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo . . . . . 0 C--N 1.309 -1.5 0 C-N-CA 122.399 2.066 . . . . 1.0 112.34 179.595 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.925 0.393 . . . . 1.0 110.23 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -61.59 -43.1 99.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.023 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.5 85.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.237 0.541 . . . . 1.0 110.74 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -59.16 -41.95 89.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.379 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -43.78 91.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.18 84.7 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.287 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' ' 13' ' ' VAL . 96.5 mt -63.08 -42.18 95.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-O 121.99 0.9 . . . . 1.0 109.609 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.15 -48.5 81.39 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.205 -0.934 . . . . 1.0 110.635 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.27 -42.99 99.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.306 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 10' ' ' ILE . 1.7 p -66.53 -39.82 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.613 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' OG1' ' A' ' 17' ' ' THR . 16.4 m -57.16 -51.8 67.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.65 0.738 . . . . 1.0 109.354 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -61.03 -40.8 94.98 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.7 -0.8 . . . . 1.0 108.952 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.24 64.41 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.389 -0.525 . . . . 1.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 14' ' ' THR . 45.6 p -64.53 -41.32 96.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.907 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -40.66 96.75 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.257 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.97 -0.559 . . . . 1.0 109.803 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.13 -39.29 85.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.913 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' LYS . 56.3 mttt -66.16 -39.91 90.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 1.0 109.862 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 9.89 1.48 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.762 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.5 mmtt 66.61 28.41 9.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.677 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.71 69.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.319 0.581 . . . . 1.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.72 -40.64 84.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.2 -53.09 61.28 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.428 -0.509 . . . . 1.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.97 -45.36 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.94 90.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.35 -45.63 90.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.086 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.87 -44.28 94.27 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.541 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.9 mt -66.33 -38.93 88.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.773 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.36 -48.25 82.34 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.728 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.35 -41.19 98.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.556 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -64.38 -49.59 71.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.03 -49.2 63.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.091 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.73 -43.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.377 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.66 -49.51 70.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.748 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.57 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.41 -48.63 80.34 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.434 0.635 . . . . 1.0 110.669 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.804 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 84.2 mt -63.01 -40.08 96.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.636 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.4 -36.44 84.15 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.24 0.543 . . . . 1.0 110.732 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -46.57 82.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.323 0.582 . . . . 1.0 112.482 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 pt -63.46 -33.17 59.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 121.566 -0.709 . . . . 1.0 111.775 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.804 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 17.0 mtpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 112.821 0.675 . . . . 1.0 112.821 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.629 ' NZ ' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -47.58 -52.87 16.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 119.831 -0.748 . . . . 1.0 110.727 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.14 -39.78 63.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.867 -0.733 . . . . 1.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -63.84 -43.16 96.98 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.07 -0.652 . . . . 1.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -67.69 -46.47 82.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.721 -0.391 . . . . 1.0 110.481 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.33 -58.24 9.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.03 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.07 -50.14 62.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.495 0.664 . . . . 1.0 110.42 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 16.0 mmmt -63.16 -41.82 99.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.2 m -52.42 -38.69 59.71 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.75 -47.81 84.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -55.65 -47.56 76.46 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.529 -0.468 . . . . 1.0 110.277 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.18 -50.22 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.715 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.72 -48.0 83.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.983 -0.687 . . . . 1.0 110.42 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -51.02 -45.03 61.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 30.5 mmm-85 -60.94 -44.42 97.29 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.57 81.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.457 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -63.87 -54.8 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.299 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.39 -48.44 81.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.537 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -72.03 -23.61 61.41 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.954 -1.021 . . . . 1.0 110.842 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -65.79 -56.27 12.81 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 p90 -78.12 -29.11 48.69 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.268 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.1 179.761 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.565 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 49.2 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 CA-C-O 120.596 0.165 . . . . 1.0 111.94 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -110.0 137.44 47.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.166 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.57 138.58 93.68 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.828 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . 0.481 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 72.7 Cg_endo . . . . . 0 N--CA 1.492 1.415 0 C-N-CA 122.256 1.971 . . . . 1.0 111.86 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.857 0.361 . . . . 1.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.348 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.39 81.99 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.395 0.616 . . . . 1.0 111.155 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.21 -46.83 87.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.797 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -63.06 -43.89 97.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.481 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.94 75.48 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.66 -41.54 92.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-O 122.017 0.913 . . . . 1.0 109.447 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -58.5 -47.35 84.39 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.512 -0.742 . . . . 1.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.6 -44.64 93.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.415 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.164 0.507 . . . . 1.0 111.204 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.479 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.6 m -59.05 -48.28 82.17 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.247 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.5 tppt? -60.31 -40.69 91.48 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.3 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.83 66.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.513 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 14' ' ' THR . 52.9 p -63.33 -38.94 93.09 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.264 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -66.84 -38.29 86.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.91 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' CB ' ' A' ' 24' ' ' ASN . 69.1 mm-40 -70.93 -47.19 60.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.683 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.86 -45.99 74.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.981 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 23' ' ' LYS . 43.1 mtmt -65.76 -36.1 82.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.861 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 8.14 1.79 Allowed 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.28 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.3 mmtp 69.42 31.2 3.88 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.849 0.718 . . . . 1.0 110.726 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' CB ' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -107.99 68.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 1.0 109.771 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 8.0 m-85 -54.55 -42.93 71.53 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -55.2 33.73 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 120.317 -0.553 . . . . 1.0 111.84 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -60.53 -45.26 94.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.05 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.5 81.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.102 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -60.27 -45.4 93.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.786 -0.366 . . . . 1.0 111.245 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.99 -43.1 95.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.194 -0.602 . . . . 1.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -64.37 -42.53 96.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 122.353 -0.217 . . . . 1.0 111.404 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -60.31 -48.84 80.02 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.766 0.666 . . . . 1.0 111.554 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.64 -45.0 92.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.108 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.41 -48.42 79.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.595 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.69 76.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.637 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -55.27 -42.67 67.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.409 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.07 -50.66 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.511 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -62.73 -39.85 95.39 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 1.0 110.703 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -60.82 -48.8 80.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.48 -39.03 93.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.469 0.652 . . . . 1.0 110.214 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.77 -21.87 64.32 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.39 17.62 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 121.342 0.591 . . . . 1.0 111.255 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.0 pt -64.36 -30.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 C-N-CA 120.625 -0.43 . . . . 1.0 111.728 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.228 0.537 . . . . 1.0 111.554 179.733 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.95 82.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.95 -0.3 . . . . 1.0 110.441 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -58.18 -35.61 71.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.068 0.461 . . . . 1.0 110.135 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.525 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 8.9 mm -69.3 -44.58 80.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.984 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.16 -41.73 97.03 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.113 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -66.76 -46.24 76.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.847 0.832 . . . . 1.0 110.879 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 1.0 OUTLIER -71.14 -35.67 71.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.311 0.577 . . . . 1.0 110.765 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 9.2 m -56.44 -47.39 79.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.724 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.3 p -66.06 -30.53 50.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.763 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -66.09 -44.99 82.79 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.353 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -67.11 -42.4 84.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.71 -28.19 68.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.263 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -69.29 -47.9 63.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 13.7 mmm180 -64.14 -40.05 95.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.54 0.686 . . . . 1.0 110.049 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.0 85.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -67.53 -56.71 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.444 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.54 -35.7 76.64 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.71 -46.68 86.78 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.147 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' N ' HD13 ' A' ' 29' ' ' LEU . 29.3 ttmt -72.71 -23.18 60.82 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.699 0.761 . . . . 1.0 109.869 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -66.94 -57.37 7.05 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.138 0.792 . . . . 1.0 113.138 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.5 p90 -77.05 -29.02 54.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.732 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.504 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 29.2 Cg_endo . . . . . 0 N--CA 1.495 1.564 0 CA-C-O 120.927 0.303 . . . . 1.0 111.949 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.03 126.36 51.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.589 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' B' ' 174' ' ' PRO . 0.0 OUTLIER -50.97 144.03 14.45 Favored Pre-proline 0 N--CA 1.443 -0.819 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.758 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 173' ' ' VAL . 7.2 Cg_exo . . . . . 0 C--N 1.304 -1.796 0 C-N-CA 122.31 2.007 . . . . 1.0 112.137 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.878 0.37 . . . . 1.0 110.121 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -60.87 -45.23 95.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.093 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.41 -42.98 78.19 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.078 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -58.46 -46.48 86.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 1.0 109.709 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -61.39 -37.66 84.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.615 -0.72 . . . . 1.0 109.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.23 90.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.482 0.658 . . . . 1.0 110.081 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.4 mt -65.0 -41.36 91.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.078 0.942 . . . . 1.0 110.062 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.65 -43.5 96.55 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.271 -0.572 . . . . 1.0 110.558 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.19 -45.02 90.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.722 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 63' ' ' TYR . 9.8 p -69.06 -34.2 62.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.616 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 17' ' ' THR . 98.7 m -58.97 -48.24 82.25 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.837 0.827 . . . . 1.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -63.53 -41.78 98.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.434 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.79 -43.22 62.96 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 14' ' ' THR . 41.1 p -66.74 -36.27 82.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.439 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.97 -40.04 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.566 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.12 -42.12 73.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.18 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.28 -44.15 83.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.657 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 23' ' ' LYS . 38.6 mtmt -66.46 -38.32 87.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.773 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 11.91 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 21' ' ' LYS . 15.4 mmmt 66.02 22.64 11.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.526 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.15 69.68 2.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.569 0.699 . . . . 1.0 109.913 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.584 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 2.6 m-85 -55.39 -45.8 76.58 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.747 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.01 -54.1 50.88 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.685 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -63.96 -46.39 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.071 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.69 78.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.513 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -59.16 -46.75 87.56 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.939 -179.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -58.49 -42.92 88.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.736 -0.786 . . . . 1.0 110.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.6 mt -66.62 -40.64 88.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.73 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 1.0 110.785 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -60.83 -45.38 94.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.481 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -60.01 -49.32 78.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.273 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.66 65.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.8 t -56.16 -45.64 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.366 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.58 -49.5 72.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.0 110.714 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.74 -40.25 96.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.54 -50.38 72.89 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.377 0.608 . . . . 1.0 110.18 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 81.7 mt -63.16 -42.5 99.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.921 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -64.45 -28.04 69.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.199 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.93 45.11 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 112.185 0.439 . . . . 1.0 112.185 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.409 ' CG1' ' O ' ' A' ' 40' ' ' LEU . 7.9 pt -59.26 -29.47 41.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 120.143 -0.623 . . . . 1.0 111.198 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 112.374 0.509 . . . . 1.0 112.374 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.729 0 CA-C-O 120.846 0.355 . . . . 1.0 110.43 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.11 -53.1 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.08 -0.648 . . . . 1.0 110.743 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -52.59 -41.52 63.71 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.644 -0.822 . . . . 1.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -63.29 -44.05 96.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.591 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.8 mm -68.48 -44.4 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 121.044 0.45 . . . . 1.0 110.847 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.06 -38.46 88.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.75 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -68.61 -48.74 63.34 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 122.084 0.945 . . . . 1.0 110.546 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.611 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 9.1 mmmm -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.588 0.709 . . . . 1.0 110.495 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.9 m -55.5 -51.42 67.06 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.142 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.5 p -63.82 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.832 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.27 -46.49 67.1 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.481 -0.487 . . . . 1.0 110.726 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.611 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 28.0 m-85 -62.06 -49.04 77.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.702 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.2 -50.75 72.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.661 -0.815 . . . . 1.0 109.771 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.652 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 62.9 t0 -48.94 -41.32 33.48 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.249 -0.648 . . . . 1.0 109.249 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -68.07 -46.55 70.74 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.526 -0.869 . . . . 1.0 110.929 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.42 94.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.477 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -64.71 -47.66 77.51 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -62.95 -33.71 75.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.84 -0.744 . . . . 1.0 109.565 -179.231 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 32.4 mt -61.81 -45.1 95.3 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.362 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 29' ' ' LEU . 31.8 ttmt -70.93 -23.55 62.27 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.513 -1.221 . . . . 1.0 110.544 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -67.32 -57.09 7.28 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.761 0.791 . . . . 1.0 112.947 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.584 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.9 p90 -75.92 -29.97 58.58 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.42 -0.912 . . . . 1.0 110.176 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--O 1.238 0.47 0 C-N-CA 120.401 -0.519 . . . . 1.0 110.277 179.11 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo . . . . . 0 N--CA 1.494 1.55 0 CA-C-O 120.987 0.328 . . . . 1.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -108.6 143.6 37.43 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.343 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.65 134.75 92.54 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.94 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 N--CA 1.491 1.331 0 C-N-CA 122.029 1.819 . . . . 1.0 111.786 178.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.919 0.39 . . . . 1.0 110.407 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -61.17 -41.82 97.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -45.7 85.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.253 0.549 . . . . 1.0 110.89 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.36 -44.6 88.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.437 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -63.1 -43.75 97.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.461 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.23 -47.65 78.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.229 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.3 mt -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.995 0.903 . . . . 1.0 109.786 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -59.58 -47.84 84.01 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.184 -0.948 . . . . 1.0 110.764 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.54 -42.57 95.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.176 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.3 p -66.78 -39.57 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.355 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.504 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.4 m -58.93 -48.87 79.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.465 0.65 . . . . 1.0 109.437 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -61.05 -40.82 95.08 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.078 -0.712 . . . . 1.0 109.078 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.58 74.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.324 -0.55 . . . . 1.0 111.059 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.9 p -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.175 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.549 0.69 . . . . 1.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.57 -39.32 94.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.425 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.77 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.9 mttt -65.09 -40.28 94.37 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 10.81 1.26 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.499 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 66.17 28.22 10.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -99.12 69.64 1.74 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 121.32 0.581 . . . . 1.0 109.889 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 5.1 m-85 -57.25 -42.68 82.0 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 122.123 -0.361 . . . . 1.0 110.644 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.1 -53.16 61.03 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.002 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 14.0 tp10 -66.47 -43.64 84.91 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 121.906 0.86 . . . . 1.0 109.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.06 96.67 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.493 -0.754 . . . . 1.0 110.569 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.12 -48.64 80.85 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.574 0.583 . . . . 1.0 112.574 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 12.4 ptm180 -60.84 -40.65 93.63 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.577 -0.849 . . . . 1.0 110.094 -178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 58.4 mt -64.82 -39.63 93.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.02 -47.88 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.21 -42.67 99.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.513 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.391 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.42 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.472 ' O ' HD22 ' A' ' 40' ' ' LEU . 50.9 t -57.84 -45.37 87.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.255 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -53.32 -49.37 67.19 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 120.064 -0.654 . . . . 1.0 111.067 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.85 -37.99 86.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.88 -50.05 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.034 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 36' ' ' VAL . 3.7 mm? -61.39 -39.34 90.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.285 0.564 . . . . 1.0 110.26 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -67.01 -30.38 70.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.333 0.587 . . . . 1.0 110.062 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.97 -47.82 60.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.501 0.667 . . . . 1.0 111.333 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 pt -64.13 -32.38 57.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.969 -0.692 . . . . 1.0 111.248 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 CA--C 1.512 -0.491 0 CA-C-O 121.164 0.507 . . . . 1.0 112.289 179.709 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 109.704 -0.48 . . . . 1.0 109.704 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -52.2 52.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.755 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.72 -39.43 62.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.804 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 t -62.19 -44.13 97.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.836 -0.746 . . . . 1.0 110.415 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.533 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 18.6 mm -64.83 -49.17 81.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 120.865 0.364 . . . . 1.0 110.847 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -54.21 -58.1 8.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.251 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.26 57.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 1.0 110.64 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.1 tptt -60.71 -42.35 97.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.243 0.544 . . . . 1.0 110.941 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 92.3 m -52.88 -43.09 65.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.987 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.7 -48.84 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.82 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -54.48 -46.81 73.48 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.356 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CE2' ' CG ' ' A' ' 59' ' ' LYS . 27.4 m-85 -62.48 -50.21 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.79 -48.61 80.98 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.942 -0.703 . . . . 1.0 110.514 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -50.88 -45.67 60.13 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.48 -0.488 . . . . 1.0 109.928 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -60.0 -45.85 91.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.112 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.97 79.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.731 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.75 -54.52 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.95 -36.52 81.66 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.219 -0.593 . . . . 1.0 110.553 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 mt -60.62 -48.92 79.64 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.176 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.67 -25.93 63.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.398 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -64.25 -55.16 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.7 p90 -78.72 -30.26 45.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.573 -0.851 . . . . 1.0 110.631 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.199 -179.467 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo . . . . . 0 N--CA 1.498 1.741 0 CA-C-O 120.81 0.254 . . . . 1.0 111.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.53 120.82 42.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.093 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.77 134.58 36.75 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.749 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 C-N-CA 122.223 1.949 . . . . 1.0 112.062 179.127 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 1.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -60.57 -43.76 96.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.191 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.26 85.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.616 0.722 . . . . 1.0 110.84 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.62 -43.17 99.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.497 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -65.56 -44.09 87.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.624 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.208 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.585 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.2 mt -65.02 -40.47 89.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 122.059 0.933 . . . . 1.0 109.59 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -60.71 -44.77 96.18 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.517 -0.74 . . . . 1.0 110.403 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.04 -43.79 91.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.481 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.93 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.488 ' O ' ' OG1' ' A' ' 17' ' ' THR . 12.3 m -57.06 -50.71 71.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.607 0.718 . . . . 1.0 109.147 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 26.2 ttpt -64.24 -41.52 96.95 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.112 -0.635 . . . . 1.0 109.455 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.92 -44.41 63.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.913 -0.492 . . . . 1.0 110.592 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 14' ' ' THR . 35.0 p -64.81 -38.27 90.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.768 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.04 -38.76 89.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.404 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 68.8 mm-40 -67.02 -39.92 87.13 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.614 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 38.9 t0 -58.42 -41.38 84.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.788 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' LYS . 51.8 mttt -65.63 -40.45 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 12.57 0.69 Allowed 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.546 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.9 mmtt 64.68 29.08 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.817 0.698 . . . . 1.0 110.859 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -100.77 67.03 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.0 109.865 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.627 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.0 m-85 -56.47 -43.24 79.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -59.18 -53.51 57.51 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.491 -0.484 . . . . 1.0 111.202 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.41 -46.21 80.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.302 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.2 84.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.212 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.73 -47.42 84.66 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.311 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.03 -42.86 86.24 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.169 -0.612 . . . . 1.0 110.625 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.73 -39.02 84.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -59.48 -48.99 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.922 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 HE22 ' HZ3' ' A' ' 71' ' ' LYS . 87.6 mt-30 -62.57 -44.18 96.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.628 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -61.28 -49.43 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -48.55 70.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.4 t -55.0 -44.57 74.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -55.17 -49.34 72.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.475 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -62.84 -39.25 93.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.98 -50.54 72.97 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.5 0.667 . . . . 1.0 110.697 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.8 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 57.9 mt -62.73 -41.06 98.99 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.507 -0.769 . . . . 1.0 109.713 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -62.76 -34.33 77.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.18 0.514 . . . . 1.0 110.96 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.8 78.17 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.669 0.747 . . . . 1.0 112.575 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 40' ' ' LEU . 8.1 pt -63.14 -34.01 64.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 O-C-N 121.675 -0.64 . . . . 1.0 111.952 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.8 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.0 mtpt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 112.619 0.6 . . . . 1.0 112.619 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.222 -0.393 0 N-CA-C 110.156 -0.312 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -46.76 -54.43 9.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.13 -41.11 64.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.568 . . . . 1.0 109.589 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -62.51 -44.25 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.114 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.59 -44.61 86.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.358 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.02 -38.71 92.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' O ' HG13 ' A' ' 61' ' ' VAL . . . -68.98 -50.9 44.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.758 0.79 . . . . 1.0 110.502 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 19.7 mmmt -65.38 -37.66 87.66 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.716 -0.615 . . . . 1.0 110.455 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -55.07 -50.33 69.42 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.971 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 58' ' ' ALA . 1.1 p -63.13 -29.88 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.552 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.0 -46.89 64.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.349 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE1' HG22 ' A' ' 13' ' ' VAL . 25.8 m-85 -62.33 -48.5 79.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.557 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.04 -51.08 71.19 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.015 -0.674 . . . . 1.0 110.274 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.46 -46.56 38.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 31.9 mmm-85 -60.88 -44.59 96.88 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.19 -0.604 . . . . 1.0 109.875 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.19 74.74 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.373 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.35 -55.55 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 ptmm? -60.11 -37.18 79.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.491 -0.483 . . . . 1.0 110.165 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 20.7 mt -60.85 -48.41 81.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.376 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HZ3' HE22 ' A' ' 33' ' ' GLN . 12.6 ttmm -70.93 -23.38 62.24 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.903 -1.044 . . . . 1.0 110.451 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.25 -57.39 6.77 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.6 p90 -75.72 -29.58 58.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.323 -0.853 . . . . 1.0 109.915 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.1 mt . . . . . 0 C--O 1.233 0.216 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.56 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.532 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 18.3 Cg_endo . . . . . 0 N--CA 1.496 1.646 0 CA-C-O 120.714 0.214 . . . . 1.0 112.149 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -106.34 126.47 52.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.114 0.483 . . . . 1.0 110.286 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.42 136.27 32.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.804 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . 0.484 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 59.4 Cg_endo . . . . . 0 C--N 1.313 -1.319 0 C-N-CA 122.253 1.969 . . . . 1.0 111.956 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.85 0.357 . . . . 1.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -61.66 -44.04 97.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.296 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -46.53 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.466 0.65 . . . . 1.0 110.772 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.27 -44.9 88.61 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.501 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -63.67 -43.26 97.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.204 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.29 79.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.8 -42.31 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 122.181 0.991 . . . . 1.0 109.672 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -59.86 -48.69 80.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.392 -0.818 . . . . 1.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.05 -43.45 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.019 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -67.8 -39.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' OG1' ' A' ' 17' ' ' THR . 46.8 m -56.47 -50.84 70.54 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.743 0.783 . . . . 1.0 109.415 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.27 -40.38 93.88 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.442 -0.903 . . . . 1.0 109.237 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -42.26 63.62 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.236 -0.586 . . . . 1.0 110.729 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 14' ' ' THR . 70.3 p -66.56 -40.16 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.626 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.71 -41.21 99.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.674 0.75 . . . . 1.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.8 -41.76 91.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.165 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.7 -41.63 86.71 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.927 -0.578 . . . . 1.0 109.669 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.7 mttt -66.26 -38.97 89.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.907 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 11.43 0.79 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.514 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' LYS . 16.0 mmmt 65.99 29.57 10.09 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.587 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -103.18 71.2 1.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.464 0.649 . . . . 1.0 110.013 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.3 m-85 -57.82 -43.72 85.94 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.29 -53.1 61.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.351 -0.54 . . . . 1.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.04 -44.87 87.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 1.0 110.354 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.33 89.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 71' ' ' LYS . 1.1 tt -61.65 -44.86 96.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.924 0.393 . . . . 1.0 110.976 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.618 -0.833 . . . . 1.0 110.307 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.32 -39.93 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.021 0.439 . . . . 1.0 110.664 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.43 -42.22 98.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.81 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.39 -50.89 65.87 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.5 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.43 -48.42 62.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.2 -43.28 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.491 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -55.27 -49.76 71.25 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.17 -38.05 89.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.765 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.53 -48.05 82.81 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.437 0.636 . . . . 1.0 110.78 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.8 -39.02 92.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.566 0.698 . . . . 1.0 109.504 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -64.15 -35.41 80.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.503 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.42 79.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.861 0.839 . . . . 1.0 112.255 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.67 -34.52 70.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.071 -1.018 . . . . 1.0 111.432 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 179.708 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.217 -0.61 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -57.88 -52.66 64.56 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.618 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.03 -37.5 64.18 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.337 -0.545 . . . . 1.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.23 -43.37 98.97 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.806 -0.757 . . . . 1.0 110.571 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -66.19 -47.0 86.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.992 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -59.98 -57.94 10.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.419 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -51.97 -48.39 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.947 0.879 . . . . 1.0 110.113 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 8.6 mmmm -66.53 -39.63 88.72 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.951 -0.7 . . . . 1.0 111.179 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.7 m -55.63 -49.32 73.16 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.423 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.11 -29.91 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.99 -46.87 64.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.299 -0.561 . . . . 1.0 110.445 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.554 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 31.0 m-85 -61.21 -48.49 81.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.271 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.42 -48.75 80.42 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.006 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -50.09 -45.21 52.44 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.077 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.701 ' NE ' ' HZ3' ' A' ' 69' ' ' LYS . 14.3 mmm180 -60.92 -45.12 95.94 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.601 -0.84 . . . . 1.0 109.984 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -34.05 75.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.744 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.38 -54.46 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.296 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.701 ' HZ3' ' NE ' ' A' ' 66' ' ' ARG . 7.3 pttm -60.8 -35.26 76.05 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.768 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.29 -46.87 88.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.377 0.608 . . . . 1.0 110.039 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' HD11 ' A' ' 29' ' ' LEU . 26.5 ttpt -70.88 -24.67 62.54 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.742 -1.117 . . . . 1.0 111.236 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -66.68 -55.62 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.564 . . . . 1.0 112.507 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 10.3 p90 -77.97 -29.35 49.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.229 -0.989 . . . . 1.0 109.875 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 119.991 -0.684 . . . . 1.0 109.421 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.494 1.537 0 CA-C-O 120.707 0.211 . . . . 1.0 112.071 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -107.91 120.21 41.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.39 130.1 25.36 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.648 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . 0.479 ' O ' ' CZ ' ' A' ' 66' ' ' ARG . 72.0 Cg_endo . . . . . 0 N--CA 1.494 1.526 0 C-N-CA 122.063 1.842 . . . . 1.0 112.155 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.963 0.411 . . . . 1.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.85 -46.49 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.437 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.198 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.51 ' O ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -54.22 -51.69 63.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.159 -0.616 . . . . 1.0 109.644 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -57.82 -40.13 79.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 119.808 -0.757 . . . . 1.0 109.21 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.36 77.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 119.947 -0.701 . . . . 1.0 110.485 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.582 ' O ' HG13 ' A' ' 13' ' ' VAL . 91.3 mt -65.35 -42.12 92.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.327 1.061 . . . . 1.0 109.707 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.58 -46.68 88.22 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 120.959 -1.088 . . . . 1.0 110.717 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.43 -42.56 95.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.379 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 10' ' ' ILE . 1.8 p -67.5 -38.9 81.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.311 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.481 ' O ' ' OG1' ' A' ' 17' ' ' THR . 8.3 m -57.37 -50.79 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.996 0.903 . . . . 1.0 109.057 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -61.43 -41.58 97.4 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.286 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -44.16 67.54 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.282 -0.567 . . . . 1.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 14' ' ' THR . 32.5 p -63.75 -41.27 98.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.604 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -40.26 94.18 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.032 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.0 109.92 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.05 -40.22 84.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.575 -0.739 . . . . 1.0 109.628 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 23' ' ' LYS . 60.5 mttt -66.01 -39.94 90.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.773 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 10.69 1.26 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.4 mmtp 66.1 30.11 9.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.926 0.766 . . . . 1.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.28 69.49 1.14 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.417 0.627 . . . . 1.0 109.963 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.0 -39.93 79.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.316 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -62.96 -52.3 63.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.244 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.9 tp10 -66.09 -43.29 87.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.208 1.004 . . . . 1.0 109.544 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.59 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -59.47 -47.95 83.53 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 13.5 ptm180 -61.35 -42.6 98.95 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.595 -0.842 . . . . 1.0 109.778 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 75.6 mt -64.23 -38.92 92.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.265 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -59.41 -47.13 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.296 0.569 . . . . 1.0 110.578 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -40.94 98.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -64.43 -50.66 66.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.32 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.06 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.64 -43.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.482 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.63 -49.41 70.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.114 0.483 . . . . 1.0 110.761 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -64.26 -38.55 91.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.108 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -61.69 -49.2 77.46 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.728 0.775 . . . . 1.0 110.478 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.745 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 73.9 mt -63.0 -40.23 97.16 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.487 -0.779 . . . . 1.0 109.415 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.454 -0.498 . . . . 1.0 110.993 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -46.77 78.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.747 0.784 . . . . 1.0 112.579 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 6.2 pt -62.68 -33.03 57.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 119.494 -0.883 . . . . 1.0 111.631 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.745 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.4 mtpt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 112.988 0.736 . . . . 1.0 112.988 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.769 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.6 mptp? -54.07 -49.55 68.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.484 -0.487 . . . . 1.0 110.171 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -54.16 -39.57 66.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.98 -43.32 99.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.858 -0.737 . . . . 1.0 110.254 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.5 mm -68.71 -44.43 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.475 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.0 -37.49 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -70.2 -48.24 57.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.268 1.033 . . . . 1.0 110.518 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.5 mmmt -68.01 -36.94 80.79 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 119.725 -0.79 . . . . 1.0 110.38 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 7.2 m -55.48 -50.24 70.41 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.038 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.6 p -63.76 -29.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.439 -0.504 . . . . 1.0 110.642 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.41 -47.45 64.11 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.857 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -62.25 -48.11 81.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.15 -49.03 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -49.71 -45.44 49.06 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.062 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -61.01 -44.57 97.22 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.857 -0.737 . . . . 1.0 109.69 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.36 79.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.377 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.54 -54.75 27.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -36.38 79.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.925 -0.71 . . . . 1.0 109.963 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.56 -48.16 83.0 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.121 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.41 -25.17 63.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.845 -1.07 . . . . 1.0 110.811 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -65.55 -56.04 14.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.828 0.823 . . . . 1.0 112.873 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.0 p90 -78.26 -29.48 48.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 119.525 -0.87 . . . . 1.0 109.887 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.317 -0.812 0 C-N-CA 119.543 -0.863 . . . . 1.0 109.764 179.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.537 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 24.8 Cg_endo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 120.847 0.27 . . . . 1.0 111.898 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.94 136.47 51.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.435 0.636 . . . . 1.0 110.359 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.28 135.69 96.36 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.59 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 C-N-CA 122.103 1.869 . . . . 1.0 112.114 179.051 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.04 -41.89 93.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.959 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -44.41 88.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.35 0.595 . . . . 1.0 110.867 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.71 -39.18 90.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.608 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -66.91 -44.0 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.86 86.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.021 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.567 ' O ' HG11 ' A' ' 13' ' ' VAL . 96.6 mt -63.22 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.922 0.868 . . . . 1.0 109.79 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -59.8 -45.04 93.58 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 121.26 -0.9 . . . . 1.0 110.743 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.56 -42.79 91.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.644 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 10' ' ' ILE . 2.5 p -67.59 -38.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 1.0 110.411 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 17' ' ' THR . 72.4 m -57.77 -48.47 79.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.32 -42.1 98.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.329 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.55 -43.46 65.22 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.528 -0.469 . . . . 1.0 111.072 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.1 p -65.66 -40.31 92.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.95 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -63.78 -40.56 96.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.865 -0.734 . . . . 1.0 110.329 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.16 -38.99 89.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.812 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 47.2 t0 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.891 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 23' ' ' LYS . 53.2 mttt -65.62 -40.15 92.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.582 -0.447 . . . . 1.0 109.828 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.06 10.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.678 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 21' ' ' LYS . 70.8 mmtt 66.45 23.21 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.75 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.49 67.82 3.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.33 0.586 . . . . 1.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.88 -41.2 82.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.471 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.32 -53.17 60.79 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.339 -0.544 . . . . 1.0 111.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.54 -45.78 82.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.96 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.55 82.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.88 -46.36 88.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.12 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -59.11 -42.82 91.46 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.94 -0.704 . . . . 1.0 110.472 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.17 -39.17 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.768 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.04 -49.49 77.44 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.085 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.11 -42.48 99.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -63.37 -50.32 70.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.05 -46.76 72.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.758 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.8 t -57.28 -44.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.073 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -54.33 -49.22 70.24 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.466 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.74 -38.35 90.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.424 -0.511 . . . . 1.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.35 -50.01 74.63 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.673 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.728 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 58.6 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.997 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.19 -30.54 71.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.137 0.494 . . . . 1.0 111.035 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.28 60.14 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 122.091 -0.381 . . . . 1.0 111.774 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 40' ' ' LEU . 9.3 pt -59.53 -31.37 46.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 120.353 -0.539 . . . . 1.0 112.2 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.728 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 9.2 mtpt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 112.885 0.698 . . . . 1.0 112.885 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -50.75 -50.3 56.03 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.38 -39.71 67.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.496 -0.482 . . . . 1.0 109.814 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -60.87 -43.47 98.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.842 -0.743 . . . . 1.0 110.524 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.48 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 21.3 mm -66.42 -44.76 90.48 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.234 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.72 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.914 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.589 ' O ' HG11 ' A' ' 61' ' ' VAL . . . -51.52 -49.8 61.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.978 0.894 . . . . 1.0 110.193 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.574 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.1 mmmt -64.5 -40.31 95.41 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.319 -0.863 . . . . 1.0 111.182 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 22.5 m -54.01 -43.94 70.5 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.162 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.589 HG11 ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.336 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -69.53 -47.96 62.01 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.228 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.93 -48.67 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.41 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.24 -48.82 80.19 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.739 -0.784 . . . . 1.0 110.118 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.8 -45.18 49.65 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.781 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 33.9 mmm-85 -61.46 -44.46 97.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.948 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.485 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.71 -55.06 22.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.303 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.77 -37.17 83.32 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.454 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.82 -49.16 78.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.185 0.517 . . . . 1.0 110.554 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -70.81 -22.39 62.35 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.793 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.84 -57.02 6.97 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.568 0.699 . . . . 1.0 112.694 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.2 p90 -76.1 -30.01 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.497 -0.881 . . . . 1.0 110.103 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 178.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.574 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 41.7 Cg_endo . . . . . 0 N--CA 1.496 1.656 0 N-CA-C 111.523 -0.222 . . . . 1.0 111.523 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -134.86 139.89 45.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.325 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.81 131.21 91.22 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.696 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo . . . . . 0 N--CA 1.494 1.504 0 C-N-CA 122.074 1.85 . . . . 1.0 111.793 179.262 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.816 0.341 . . . . 1.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.25 -44.04 95.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.33 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.6 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.372 0.606 . . . . 1.0 110.618 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.15 -46.4 88.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.704 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -42.94 97.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.482 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -45.44 76.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.336 0.588 . . . . 1.0 109.799 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 13' ' ' VAL . 97.2 mt -63.95 -41.08 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.864 0.84 . . . . 1.0 109.8 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.95 -47.4 85.95 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.711 -0.796 . . . . 1.0 111.091 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.16 -43.89 97.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.328 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 10' ' ' ILE . 2.9 p -68.26 -37.59 78.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.334 -0.546 . . . . 1.0 110.553 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.8 m -57.33 -51.01 71.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.494 0.664 . . . . 1.0 109.423 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -62.48 -40.87 98.08 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.54 -0.864 . . . . 1.0 109.449 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -43.39 63.06 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 14' ' ' THR . 47.3 p -66.11 -39.45 89.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.425 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -40.84 96.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.901 -0.719 . . . . 1.0 110.126 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -64.76 -39.72 94.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.122 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -59.67 -40.46 87.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.682 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 23' ' ' LYS . 55.1 mttt -65.64 -39.66 91.69 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.782 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 10.02 1.28 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.582 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.0 mmtp 65.95 32.35 8.57 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.979 0.799 . . . . 1.0 110.457 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -104.09 69.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 1.0 109.865 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.6 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -57.39 -43.81 83.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.312 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.64 -53.22 60.78 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.497 -0.481 . . . . 1.0 111.698 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.0 -45.63 77.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.972 0.415 . . . . 1.0 110.133 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.18 82.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 25' ' ' TYR . 2.9 tt -61.08 -46.84 89.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 1.0 111.83 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.526 HH11 ' CD2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.96 -40.84 94.87 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 119.778 -0.769 . . . . 1.0 109.828 -179.451 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.526 ' CD2' HH11 ' A' ' 30' ' ' ARG . 81.6 mt -65.4 -40.21 93.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.858 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.64 -46.48 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.923 0.392 . . . . 1.0 110.563 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' NE2' ' CD2' ' A' ' 29' ' ' LEU . 87.3 mt-30 -63.69 -42.39 98.02 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.06 -51.77 62.5 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.353 0.597 . . . . 1.0 110.747 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.84 75.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.779 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.45 -43.55 86.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.033 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -54.0 -49.53 68.65 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -62.4 -38.97 91.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.884 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -60.75 -49.24 78.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.598 0.714 . . . . 1.0 110.684 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 66.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.231 -0.587 . . . . 1.0 110.736 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.15 72.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.697 0.761 . . . . 1.0 112.597 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.4 pt -62.56 -34.43 64.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 C-N-CA 119.493 -0.883 . . . . 1.0 111.398 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 12.2 mtmt . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 109.721 -0.474 . . . . 1.0 109.721 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -47.81 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.633 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -60.42 -33.69 72.88 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.409 -0.516 . . . . 1.0 110.06 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.526 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.7 mm -68.1 -45.93 82.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-O 121.249 0.547 . . . . 1.0 110.523 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.25 -57.96 10.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.128 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.47 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 1.0 110.561 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.568 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.2 mmmm -62.27 -42.89 99.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.948 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -52.67 -39.85 62.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -64.8 -47.72 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.856 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -56.15 -46.6 79.21 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.957 0.408 . . . . 1.0 110.448 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 26.4 m-85 -63.19 -50.5 70.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.59 -47.74 84.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.712 -0.795 . . . . 1.0 110.431 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -52.34 -45.04 65.52 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.072 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -60.34 -44.41 95.54 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.785 -0.766 . . . . 1.0 109.43 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.63 80.53 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.9 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -54.68 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.318 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -61.44 -34.78 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.918 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.68 -47.56 85.13 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.143 0.497 . . . . 1.0 109.996 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' HD13 ' A' ' 29' ' ' LEU . 25.5 ttpt -69.42 -25.67 64.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.176 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.4 -55.61 14.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.656 0.613 . . . . 1.0 112.656 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -77.78 -30.45 51.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.157 -1.017 . . . . 1.0 109.867 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.223 -0.335 0 C-N-CA 119.83 -0.748 . . . . 1.0 109.821 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 N--CA 1.497 1.717 0 CA-C-O 120.807 0.253 . . . . 1.0 111.719 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -122.85 137.94 54.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.063 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.99 137.51 92.23 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.745 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 N--CA 1.494 1.518 0 C-N-CA 121.8 1.667 . . . . 1.0 112.02 179.033 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.079 0.466 . . . . 1.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -61.12 -41.93 97.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.003 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -44.32 86.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.626 0.727 . . . . 1.0 111.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.694 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -64.08 -42.19 97.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.509 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.2 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.041 0.448 . . . . 1.0 110.035 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 10' ' ' ILE . 95.0 mt -63.45 -42.18 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.73 -44.46 96.86 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.205 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -63.7 -44.72 92.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.762 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.412 HG22 ' CE1' ' A' ' 63' ' ' TYR . 8.3 p -69.97 -35.52 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.171 -0.612 . . . . 1.0 110.794 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.478 ' O ' ' OG1' ' A' ' 17' ' ' THR . 15.5 m -56.95 -50.62 72.05 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.982 0.896 . . . . 1.0 109.38 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -63.56 -40.26 96.53 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.539 -0.864 . . . . 1.0 109.283 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.47 64.59 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.178 -0.609 . . . . 1.0 111.035 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 14' ' ' THR . 42.8 p -65.72 -37.21 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.272 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -39.33 93.31 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.766 -0.773 . . . . 1.0 109.595 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 71.4 mm-40 -69.3 -42.44 75.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.427 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -56.36 -44.71 80.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.696 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' A' ' 23' ' ' LYS . 37.9 mtmt -67.34 -36.42 81.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.393 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 10.75 1.05 Allowed 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.325 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.7 mmtt 67.96 20.76 9.1 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.36 1.038 . . . . 1.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 2.1 m-20 -95.11 68.56 3.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.0 110.149 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.6 m-85 -56.88 -43.04 80.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.425 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.3 -53.06 61.6 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.136 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.1 tp10 -65.07 -45.78 83.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.224 1.011 . . . . 1.0 109.579 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.9 94.37 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 121.615 -0.678 . . . . 1.0 110.431 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.75 -50.14 75.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.569 0.581 . . . . 1.0 112.569 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 11.3 ptm180 -59.58 -40.62 87.98 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.646 -0.821 . . . . 1.0 109.883 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 87.6 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.28 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -60.02 -48.56 81.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.169 0.509 . . . . 1.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.37 -44.28 96.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.673 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -61.07 -49.57 76.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 1.0 110.558 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.3 73.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.8 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -56.97 -44.83 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -54.88 -48.83 72.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 1.0 110.412 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.15 -39.32 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.524 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.41 -49.8 75.42 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.217 0.532 . . . . 1.0 110.368 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.659 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 81.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.679 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -64.97 -25.36 67.84 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.167 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.32 -48.69 26.66 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 112.095 0.406 . . . . 1.0 112.095 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 pt -60.66 -32.38 51.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 24.0 mttm . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 113.657 0.984 . . . . 1.0 113.657 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.551 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -52.37 28.71 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.018 -0.673 . . . . 1.0 110.554 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.7 -39.02 64.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -61.07 -43.89 98.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.794 -0.763 . . . . 1.0 110.283 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.499 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.7 mm -66.58 -45.1 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.027 0.442 . . . . 1.0 110.589 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -62.3 -37.79 86.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.906 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -68.06 -49.74 59.48 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 122.218 1.009 . . . . 1.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' B' ' 172' ' ' GLU . 23.6 mmmt -67.29 -36.32 81.29 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.483 -0.761 . . . . 1.0 110.451 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 19.4 m -55.43 -50.51 69.63 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.009 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.28 -29.73 48.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.693 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -69.14 -47.1 65.96 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.541 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.0 m-85 -61.98 -48.55 79.82 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.69 -50.17 74.88 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 119.495 -0.882 . . . . 1.0 109.957 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.8 -46.81 42.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.762 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.677 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.9 73.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.469 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.43 -54.96 15.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.453 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -61.16 -36.94 81.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.138 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.44 -49.65 76.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.522 0.677 . . . . 1.0 110.744 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -70.85 -21.95 62.37 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.159 -1.382 . . . . 1.0 111.156 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -69.12 -57.17 5.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 112.664 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.593 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.4 p90 -75.71 -29.29 58.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.811 -0.756 . . . . 1.0 109.81 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 N--CA 1.453 -0.276 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.599 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo . . . . . 0 N--CA 1.496 1.637 0 N-CA-C 111.222 -0.338 . . . . 1.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 59' ' ' LYS . 47.4 tp10 -121.26 124.18 44.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.069 0.462 . . . . 1.0 109.982 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.89 135.73 56.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.622 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo . . . . . 0 N--CA 1.493 1.487 0 C-N-CA 121.929 1.752 . . . . 1.0 111.955 179.224 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.81 0.338 . . . . 1.0 110.221 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -61.09 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.08 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -45.33 82.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.209 0.528 . . . . 1.0 110.802 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -59.52 -43.8 93.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.542 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.27 -42.8 92.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.347 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.04 80.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.84 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.569 ' O ' HG13 ' A' ' 13' ' ' VAL . 96.8 mt -64.73 -41.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.929 0.871 . . . . 1.0 109.651 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -59.99 -46.29 89.96 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.338 -0.851 . . . . 1.0 110.547 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.14 -43.14 96.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.52 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 10' ' ' ILE . 2.7 p -66.9 -38.58 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.56 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.5 m -58.32 -48.7 79.7 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.534 0.683 . . . . 1.0 109.382 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -62.69 -42.14 99.48 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.337 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.2 65.46 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.103 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 48.5 p -65.85 -39.63 90.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.84 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.13 -41.37 97.23 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.774 -0.77 . . . . 1.0 110.164 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -65.04 -38.85 92.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.395 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -59.62 -39.42 84.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 23' ' ' LYS . 49.2 mttm -65.38 -41.33 93.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.833 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.46 10.55 1.0 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.6 mmtp 66.6 27.21 9.62 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.362 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.97 67.21 1.92 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.902 0.382 . . . . 1.0 110.224 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.19 -40.09 76.69 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.148 -0.221 . . . . 1.0 110.468 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.48 -52.54 64.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.719 0.295 . . . . 1.0 111.064 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.76 -46.28 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.889 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.63 80.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.27 -46.02 89.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 120.704 0.288 . . . . 1.0 111.049 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.38 -43.42 92.9 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.513 -0.875 . . . . 1.0 110.265 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.6 -39.67 88.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.958 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -59.9 -49.11 78.98 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.866 0.365 . . . . 1.0 110.863 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.685 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -63.33 -50.75 68.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.596 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.07 73.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.924 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -53.98 -49.32 69.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.49 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.88 -37.97 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.006 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.61 -49.21 78.44 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.586 -0.445 . . . . 1.0 110.39 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 1.0 109.908 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -67.55 -26.73 66.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.305 0.574 . . . . 1.0 110.458 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.33 48.15 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.859 -0.526 . . . . 1.0 111.375 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.4 pt -67.25 -32.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.1 mttt . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.375 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.516 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -50.97 47.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.133 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -53.37 -41.36 65.77 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.106 -0.638 . . . . 1.0 109.737 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -62.39 -43.51 98.66 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.861 -0.736 . . . . 1.0 110.748 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.0 mm -67.55 -45.67 84.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.701 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.58 -58.07 9.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.863 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.8 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.169 0.509 . . . . 1.0 110.207 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.749 ' HZ1' HE22 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.166 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -51.8 -37.03 50.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.09 -46.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.627 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.749 HE22 ' HZ1' ' A' ' 59' ' ' LYS . 67.2 mt-30 -54.13 -50.07 67.75 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.095 0.474 . . . . 1.0 110.58 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.05 -48.65 77.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.14 -47.59 85.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.556 -0.858 . . . . 1.0 110.408 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.86 -44.66 63.76 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.039 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -61.88 -43.56 98.6 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.765 -0.774 . . . . 1.0 109.365 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.57 81.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.384 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.66 -54.9 28.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.618 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HZ1' ' CB ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -61.94 -36.52 81.64 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.197 -0.601 . . . . 1.0 110.279 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.16 -48.87 79.6 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.189 0.518 . . . . 1.0 110.164 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -70.99 -23.86 62.28 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.428 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -66.54 -56.03 12.73 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 112.947 0.721 . . . . 1.0 112.947 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.616 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.9 p90 -77.79 -28.73 50.5 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 119.407 -0.917 . . . . 1.0 109.98 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.33 -0.243 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.78 178.81 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.498 1.777 0 CA-C-O 120.942 0.309 . . . . 1.0 112.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -105.82 127.3 53.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.079 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.88 141.64 74.66 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.626 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo . . . . . 0 N--CA 1.495 1.567 0 C-N-CA 122.353 2.035 . . . . 1.0 111.843 179.573 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.005 0.431 . . . . 1.0 110.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.06 -44.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.448 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -42.17 86.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.406 . . . . 1.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -56.61 -45.88 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.699 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.36 -39.52 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.07 80.19 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.564 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' HG13 ' A' ' 13' ' ' VAL . 92.0 mt -62.64 -41.12 90.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 121.76 0.79 . . . . 1.0 109.537 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -60.57 -43.12 97.65 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.632 -0.668 . . . . 1.0 110.53 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.675 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.76 -38.58 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.982 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.9 m -57.25 -49.87 74.69 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.6 ttpt -65.01 -41.02 95.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.55 -43.24 65.08 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 14' ' ' THR . 26.2 p -65.43 -38.6 90.36 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.927 0.394 . . . . 1.0 110.92 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.07 -39.18 89.86 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.142 -0.623 . . . . 1.0 110.568 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.87 -40.33 87.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.45 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 15.9 t70 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.861 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' LYS . 52.9 mttt -65.1 -39.26 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.43 11.31 1.02 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.795 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.4 mmtt 66.93 26.93 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.59 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.528 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -97.61 67.26 2.03 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.426 0.632 . . . . 1.0 110.247 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -56.54 -43.94 80.36 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 122.072 -0.392 . . . . 1.0 110.59 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -59.95 -54.08 50.28 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.608 -0.437 . . . . 1.0 111.281 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 38.0 tt0 -65.32 -46.62 79.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.636 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.8 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.29 -47.51 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.27 0.357 . . . . 1.0 110.977 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.03 -42.96 86.43 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.627 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.67 -39.07 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.73 -49.93 75.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.85 -42.94 99.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.696 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -62.21 -49.03 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.612 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.55 -45.72 77.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.786 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -58.01 -44.77 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.372 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.95 -47.08 78.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.467 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.81 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.67 -50.51 72.21 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.622 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.793 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 60.3 mt -62.36 -41.23 98.44 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.795 -0.638 . . . . 1.0 109.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -66.53 -28.65 68.71 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 121.122 0.487 . . . . 1.0 111.215 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.39 60.1 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.134 0.42 . . . . 1.0 112.134 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 pt -62.01 -30.65 49.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.793 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.6 mtpt . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . . . . . . 0 C--O 1.216 -0.694 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.529 ' HZ1' ' CB ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.61 -49.99 55.16 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.146 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -54.33 -39.13 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.298 0.374 . . . . 1.0 110.032 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 52' ' ' ALA . 10.6 t -61.37 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.449 -0.501 . . . . 1.0 109.983 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 11.5 mm -67.85 -44.4 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.023 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -63.74 -38.22 90.29 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.002 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -69.07 -49.49 56.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.899 0.857 . . . . 1.0 110.718 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.3 mmmt -67.43 -36.7 81.76 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.77 -0.581 . . . . 1.0 110.7 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.8 m -55.35 -50.33 69.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.026 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.18 -29.59 47.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.793 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -69.72 -47.4 63.24 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.477 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.9 m-85 -60.88 -48.4 82.0 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.586 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.33 -50.72 72.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.085 -0.646 . . . . 1.0 109.967 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.785 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 32.7 t0 -46.42 -43.17 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' B' ' 174' ' ' PRO . 12.3 mmm180 -66.13 -45.8 79.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.411 0.624 . . . . 1.0 110.993 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.47 92.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.724 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.785 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -62.31 -48.52 79.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.94 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.8 ptmm? -65.22 -36.52 84.42 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.082 0.468 . . . . 1.0 109.87 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 18.7 mt -61.96 -47.12 86.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -71.83 -22.04 61.6 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.238 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.03 -58.29 4.75 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.858 0.688 . . . . 1.0 112.858 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.0 p90 -75.48 -29.52 59.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--O 1.232 0.164 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.489 1.235 0 N-CA-C 111.003 -0.422 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -117.17 142.63 46.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.139 0.495 . . . . 1.0 110.581 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.64 133.38 62.9 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . 0.505 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 58.7 Cg_endo . . . . . 0 C--N 1.311 -1.44 0 C-N-CA 122.453 2.102 . . . . 1.0 111.965 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.854 0.359 . . . . 1.0 110.152 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -61.01 -45.91 92.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -45.16 77.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.108 0.48 . . . . 1.0 110.661 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -57.9 -45.14 86.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.405 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HZ1' ' HH ' ' A' ' 38' ' ' TYR . 70.8 tttt -64.48 -42.51 95.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.36 82.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.846 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.59 -41.98 93.82 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-O 122.076 0.941 . . . . 1.0 109.725 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.36 -47.71 84.4 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.838 . . . . 1.0 110.743 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.3 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.489 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.6 p -67.66 -39.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 6.8 m -57.02 -51.46 69.16 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 121.331 0.586 . . . . 1.0 109.438 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -62.49 -41.0 98.49 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.749 -0.78 . . . . 1.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.95 63.06 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.943 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 62.2 p -66.82 -38.59 86.74 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.601 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.067 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -65.8 -40.57 92.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.07 -40.85 86.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 23' ' ' LYS . 24.0 mttt -65.95 -39.63 90.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.981 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 8.29 1.81 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.689 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 21' ' ' LYS . 69.8 mmtt 68.86 26.11 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -97.83 69.67 2.12 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.347 0.594 . . . . 1.0 109.933 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CD2' ' OH ' ' A' ' 73' ' ' TYR . 3.0 m-85 -57.35 -43.13 83.22 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.87 -52.71 63.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 1.0 111.428 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.76 -45.8 81.18 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.451 -0.499 . . . . 1.0 110.16 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.53 81.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -60.39 -44.98 95.13 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.802 0.334 . . . . 1.0 111.374 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -60.04 -43.39 95.36 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.988 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.73 -39.37 87.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.042 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -59.87 -48.52 81.36 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.724 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.31 -41.39 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.934 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -64.51 -51.17 64.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.28 -46.3 72.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.5 -43.79 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.85 -49.84 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.574 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.642 ' HH ' ' HZ1' ' A' ' 8' ' ' LYS . 36.3 m-85 -63.27 -37.35 86.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.29 -49.15 78.73 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.619 -0.433 . . . . 1.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.11 -38.96 93.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.999 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -67.76 -29.1 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.484 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.0 59.64 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 121.949 -0.469 . . . . 1.0 111.552 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.82 -32.67 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.284 -0.566 . . . . 1.0 112.514 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 CA--C 1.504 -0.792 0 N-CA-C 113.065 0.765 . . . . 1.0 113.065 -179.167 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -53.07 27.9 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.654 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -54.21 -39.92 67.16 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.52 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -61.2 -43.81 98.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.14 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -67.85 -44.29 85.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-O 120.988 0.423 . . . . 1.0 110.546 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.7 -58.34 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.326 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.56 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.215 0.531 . . . . 1.0 110.518 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.568 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.4 mmmm -63.22 -42.77 99.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 m -52.38 -38.92 60.06 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.41 -48.02 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.421 -0.512 . . . . 1.0 109.807 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -55.63 -47.45 76.58 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.58 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 27.3 m-85 -62.11 -50.31 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.96 -47.48 85.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.792 -0.763 . . . . 1.0 110.128 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -51.31 -45.27 62.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.276 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -61.35 -44.39 97.25 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.753 -0.779 . . . . 1.0 109.427 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.21 80.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.276 -0.57 . . . . 1.0 110.684 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.29 -54.47 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -61.39 -35.48 77.64 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.887 -0.725 . . . . 1.0 109.851 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.51 -46.43 90.17 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.181 0.515 . . . . 1.0 109.892 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.474 ' N ' HD12 ' A' ' 29' ' ' LEU . 32.1 ttmt -71.04 -24.82 62.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.055 -0.975 . . . . 1.0 110.878 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.55 -56.4 12.5 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.71 0.634 . . . . 1.0 112.71 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CD2' ' A' ' 25' ' ' TYR . 13.7 p90 -77.62 -31.18 52.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 119.331 -0.947 . . . . 1.0 110.565 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 N--CA 1.468 0.444 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.1 179.235 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.499 1.85 0 CA-C-O 120.911 0.296 . . . . 1.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -111.39 133.11 53.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.764 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.31 141.25 96.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.911 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.493 1.469 0 C-N-CA 121.972 1.781 . . . . 1.0 111.59 178.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 120.943 0.401 . . . . 1.0 109.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -60.5 -46.77 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.33 -41.91 84.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.361 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.247 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.19 92.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.066 -0.653 . . . . 1.0 110.081 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.544 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.5 mt -65.0 -41.59 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.906 0.86 . . . . 1.0 110.121 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.39 -44.35 97.3 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.426 -0.796 . . . . 1.0 110.547 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 38' ' ' TYR . 49.8 mt -64.75 -43.42 93.39 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.627 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.3 p -68.24 -36.86 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 17' ' ' THR . 95.4 m -58.92 -47.9 83.39 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.409 0.623 . . . . 1.0 109.495 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -64.1 -42.38 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.184 -0.606 . . . . 1.0 109.59 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.23 -42.69 63.81 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.953 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 14' ' ' THR . 42.3 p -66.92 -37.24 83.98 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.588 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.87 -41.05 92.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.904 -0.719 . . . . 1.0 110.057 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -40.25 87.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.005 0.431 . . . . 1.0 110.713 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.45 -41.63 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.68 -39.37 91.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.122 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 10.89 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 21' ' ' LYS . 27.3 mmtp 67.14 22.09 9.91 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.036 0.835 . . . . 1.0 110.562 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.89 66.87 3.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.19 0.519 . . . . 1.0 110.245 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.7 m-85 -56.73 -40.91 76.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.508 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -60.62 -52.57 64.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.31 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -66.38 -46.67 75.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.77 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.67 -47.14 85.5 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.717 0.294 . . . . 1.0 110.833 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.616 -0.834 . . . . 1.0 110.289 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.05 -40.02 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -59.61 -49.84 76.2 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.871 0.367 . . . . 1.0 110.907 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.92 -43.57 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.626 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -62.46 -51.55 67.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.632 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.06 68.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.694 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.25 -43.96 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.458 -0.497 . . . . 1.0 110.012 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -53.68 -49.63 67.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.606 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 57.1 m-85 -62.98 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.941 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -60.92 -50.69 72.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.55 . . . . 1.0 110.176 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.736 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 69.6 mt -62.72 -42.8 99.84 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.097 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -64.63 -28.52 69.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.146 0.498 . . . . 1.0 111.264 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.84 59.21 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 8.0 pt -62.79 -31.93 54.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 112.183 0.438 . . . . 1.0 112.183 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.736 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.0 mtpt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 112.9 0.704 . . . . 1.0 112.9 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 110.09 -0.337 . . . . 1.0 110.09 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.9 mptp? -48.38 -56.37 8.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.516 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 55' ' ' SER . 7.8 pt-20 -52.47 -41.55 63.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.152 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 34.9 t -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.032 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.4 mm -66.83 -44.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.447 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.13 -58.41 8.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.54 -51.54 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.101 0.477 . . . . 1.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 19.1 mmmt -62.24 -41.98 98.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.588 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.45 -40.27 62.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.41 -48.4 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.101 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -54.22 -47.43 72.17 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.365 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.66 -49.23 75.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.9 -48.75 80.42 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.568 -0.853 . . . . 1.0 110.255 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -50.34 -44.76 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 1.0 110.101 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -61.84 -44.32 97.07 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.932 -0.707 . . . . 1.0 109.375 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.76 75.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.78 -54.92 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.32 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.082 -0.647 . . . . 1.0 110.382 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.1 -49.08 78.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.19 0.519 . . . . 1.0 110.007 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -71.26 -22.22 62.0 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.189 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -68.14 -57.09 6.62 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.581 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.6 p90 -77.25 -29.01 53.81 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.693 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt . . . . . 0 C--N 1.331 -0.221 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.656 178.179 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.551 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 44.3 Cg_endo . . . . . 0 N--CA 1.497 1.706 0 CA-C-O 120.799 0.249 . . . . 1.0 111.978 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -107.57 134.86 49.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.094 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.77 139.41 86.43 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.817 -178.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.495 1.614 0 C-N-CA 121.816 1.677 . . . . 1.0 112.114 179.36 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 1.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 m -62.12 -45.7 92.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.498 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.66 -42.18 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.716 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -57.72 -42.27 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.593 . . . . 1.0 109.598 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -64.41 -41.12 96.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.62 89.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.026 0.441 . . . . 1.0 110.431 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.694 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.1 mt -66.35 -43.53 91.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 121.881 0.848 . . . . 1.0 109.724 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -58.18 -48.36 80.55 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.639 -0.663 . . . . 1.0 110.216 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.65 -43.02 97.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.619 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -65.75 -40.47 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.757 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.53 ' O ' ' OG1' ' A' ' 17' ' ' THR . 55.5 m -57.49 -50.61 72.5 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 tppt? -59.99 -41.5 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.4 -45.07 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.784 0.326 . . . . 1.0 110.647 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.5 p -63.24 -41.94 99.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.131 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.3 pt-20 -62.96 -39.45 94.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.542 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.61 -39.56 88.4 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 27.7 t0 -60.06 -38.02 81.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.836 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.4 mttt -66.42 -40.15 89.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.901 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 8.73 2.68 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.534 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 68.13 29.45 6.21 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.553 0.533 . . . . 1.0 110.592 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -99.92 69.61 1.56 Allowed 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.4 0.619 . . . . 1.0 110.009 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.31 -40.6 78.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.765 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.35 -54.11 48.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.798 0.332 . . . . 1.0 110.953 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.03 -45.42 85.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.84 89.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.294 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.958 -0.297 . . . . 1.0 111.148 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -60.95 -41.85 97.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.666 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.35 -39.25 81.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.534 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -59.52 -49.2 78.71 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.892 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.03 -40.34 97.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -65.36 -50.2 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.533 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.2 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.459 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.49 -43.07 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -54.8 -50.11 69.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.857 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -64.09 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.52 -49.44 77.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.571 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.94 -36.07 82.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.293 0.568 . . . . 1.0 110.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -70.95 -26.55 63.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.81 55.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.327 0.584 . . . . 1.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 pt -68.29 -32.24 54.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 112.657 0.614 . . . . 1.0 112.657 -179.317 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -48.02 78.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.474 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -57.0 -36.11 70.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.272 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -64.52 -42.59 95.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.028 0.442 . . . . 1.0 110.262 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.3 mm -68.26 -46.38 81.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.291 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -60.32 -58.87 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.212 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.79 61.07 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.081 0.467 . . . . 1.0 110.586 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 16.3 mmmt -62.38 -42.64 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 m -52.86 -40.42 63.41 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.98 -47.81 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -55.99 -46.87 78.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -62.84 -50.71 69.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.135 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.54 -48.7 80.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.773 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.21 -46.52 62.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.624 ' NE ' ' HZ1' ' A' ' 69' ' ' LYS . 12.3 mmm180 -59.72 -45.23 92.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.079 0.466 . . . . 1.0 110.168 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.75 90.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.281 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.84 -55.03 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.073 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.624 ' HZ1' ' NE ' ' A' ' 66' ' ' ARG . 5.5 pttm -61.67 -37.27 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.515 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 18.1 mt -59.15 -49.26 78.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -72.64 -23.16 60.87 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.335 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.72 -56.8 10.14 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.2 p90 -78.21 -28.43 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.686 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.332 -0.173 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . 0.538 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 44.2 Cg_endo . . . . . 0 N--CA 1.493 1.498 0 CA-C-O 120.87 0.279 . . . . 1.0 112.09 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.29 129.13 53.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.388 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.29 136.35 30.63 Favored Pre-proline 0 N--CA 1.451 -0.403 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.912 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo . . . . . 0 C--N 1.31 -1.471 0 C-N-CA 122.269 1.979 . . . . 1.0 112.713 179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.935 0.397 . . . . 1.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 1.0 109.984 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -43.93 88.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.192 0.52 . . . . 1.0 110.79 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -61.02 -45.14 95.99 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.572 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.414 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.73 -43.95 81.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.843 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 10' ' ' ILE . 97.0 mt -62.85 -41.85 94.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.295 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -61.51 -46.07 91.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.329 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.94 -44.92 94.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.431 -0.349 . . . . 1.0 111.423 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 63' ' ' TYR . 9.3 p -69.92 -34.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.45 ' O ' ' OG1' ' A' ' 17' ' ' THR . 51.6 m -58.16 -49.95 75.2 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.616 0.722 . . . . 1.0 109.198 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -40.62 98.18 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.722 -0.791 . . . . 1.0 109.395 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.1 65.62 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 14' ' ' THR . 42.9 p -66.11 -37.46 85.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.519 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -41.18 93.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.655 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.0 -41.28 91.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.649 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.6 -41.49 85.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.64 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.6 mttt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.232 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 13.63 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.619 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 21' ' ' LYS . 71.6 mmtt 64.62 30.27 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.333 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -104.05 69.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.288 0.566 . . . . 1.0 109.63 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.2 m-85 -56.83 -45.17 82.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.554 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.7 -53.68 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.572 -0.451 . . . . 1.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 40.0 tt0 -63.21 -45.26 92.52 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.241 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.27 81.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -59.91 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.692 0.282 . . . . 1.0 110.973 -179.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -59.08 -44.33 91.88 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.552 -0.859 . . . . 1.0 109.848 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.1 -40.82 95.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.61 -48.32 82.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.909 0.385 . . . . 1.0 111.118 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -63.34 -44.14 95.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.892 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -60.81 -49.38 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.584 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.18 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.6 -44.45 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.095 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -54.77 -49.33 71.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.319 -0.553 . . . . 1.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.91 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.959 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.24 -49.92 75.15 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.275 0.559 . . . . 1.0 110.939 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 77.1 mt -63.51 -41.11 98.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.6 -37.17 85.22 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.376 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.43 80.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.91 -34.75 70.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 C-N-CA 119.52 -0.872 . . . . 1.0 111.372 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 55.7 mttm . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.51 ' HE2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -48.72 -53.39 19.08 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 120.437 -0.505 . . . . 1.0 109.905 -178.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -41.98 63.53 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.646 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.1 t -62.4 -43.73 98.12 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.582 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.466 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 12.4 mm -67.86 -44.59 85.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.612 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.76 -40.34 94.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.791 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -67.35 -49.92 62.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.842 0.829 . . . . 1.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -66.7 -36.23 82.0 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.11 -0.636 . . . . 1.0 110.396 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.9 m -55.9 -50.86 69.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.237 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.06 -29.74 48.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.689 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -69.73 -45.69 67.61 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.294 -0.562 . . . . 1.0 110.849 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CE1' HG21 ' A' ' 13' ' ' VAL . 23.1 m-85 -62.22 -48.72 78.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.549 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.75 -49.5 77.24 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.913 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -50.26 -44.98 53.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.171 -0.611 . . . . 1.0 110.063 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.586 ' NH1' ' HZ1' ' A' ' 69' ' ' LYS . 20.7 mmm180 -61.66 -45.22 94.98 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 119.884 -0.727 . . . . 1.0 109.915 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.68 72.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.962 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.56 -54.83 14.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.676 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HZ1' ' NH1' ' A' ' 66' ' ' ARG . 18.3 ptmt -60.97 -35.64 77.32 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.836 -0.746 . . . . 1.0 109.866 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.97 -47.48 85.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.098 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 29' ' ' LEU . 26.4 ttpt -71.13 -22.86 62.01 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.058 -0.974 . . . . 1.0 111.449 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.27 -56.65 7.9 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 112.823 0.675 . . . . 1.0 112.823 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.599 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 8.0 p90 -76.37 -30.29 57.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.56 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.562 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 N--CA 1.498 1.752 0 CA-C-O 120.867 0.278 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -107.32 125.01 50.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.96 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.07 136.83 57.69 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.024 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 N--CA 1.495 1.608 0 C-N-CA 122.178 1.919 . . . . 1.0 111.6 178.535 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -61.22 -48.17 82.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 1.0 110.368 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.64 -41.93 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.799 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -57.03 -44.94 83.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.7 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -63.5 -39.18 93.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.47 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.02 92.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.259 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG13 ' A' ' 13' ' ' VAL . 89.5 mt -65.96 -41.19 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.973 0.892 . . . . 1.0 109.982 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.81 -45.88 92.71 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.278 -0.889 . . . . 1.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.63 -43.11 94.77 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.24 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -66.78 -39.56 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.845 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.1 m -58.52 -47.95 82.47 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -63.13 -38.25 90.43 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 119.321 -0.951 . . . . 1.0 109.079 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 14' ' ' THR . 82.0 p -63.79 -38.86 92.66 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.176 -0.61 . . . . 1.0 110.795 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -39.75 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.456 -0.898 . . . . 1.0 110.17 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 1.0 110.671 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.11 -42.34 76.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 23' ' ' LYS . 20.9 mttt -65.25 -39.87 93.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.681 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.12 11.73 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.793 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 21' ' ' LYS . 42.6 mmtm 65.07 26.93 12.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.205 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.22 66.96 1.83 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.19 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.9 m-85 -55.91 -40.91 73.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.583 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -61.51 -53.23 59.06 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.35 -46.9 78.37 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.24 -0.584 . . . . 1.0 109.864 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.82 -44.72 78.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.202 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 tp -58.32 -46.51 86.04 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -57.17 -47.74 80.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.573 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 16' ' ' ALA . 3.3 mp -62.97 -39.52 94.95 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.618 0.246 . . . . 1.0 111.503 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -60.31 -50.17 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.802 -0.759 . . . . 1.0 110.682 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.86 -42.99 99.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.569 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -63.31 -50.69 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -50.16 57.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.43 -44.15 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.426 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.972 0.415 . . . . 1.0 110.691 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.09 -38.42 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -61.11 -47.61 85.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.04 0.448 . . . . 1.0 110.267 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.428 0.632 . . . . 1.0 109.658 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -69.42 -22.8 63.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.097 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.46 29.94 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.334 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 13.3 pt -66.1 -31.84 55.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 120.136 -0.626 . . . . 1.0 111.705 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 112.777 0.658 . . . . 1.0 112.777 179.652 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.289 -0.263 . . . . 1.0 110.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -49.08 -52.29 26.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.261 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -52.62 -42.04 64.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.798 -0.761 . . . . 1.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 t -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.894 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 10.5 mm -66.45 -45.2 89.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 120.731 -0.387 . . . . 1.0 110.647 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.88 -58.26 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.054 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.61 -52.9 35.15 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -62.42 -40.53 96.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 16.6 m -52.82 -40.46 63.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.78 -48.31 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.286 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -53.91 -46.52 71.47 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.333 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.13 -48.51 78.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.476 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.09 -49.15 78.79 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.461 -0.896 . . . . 1.0 110.328 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -50.67 -45.12 57.91 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.196 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.48 -43.89 98.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 119.784 -0.767 . . . . 1.0 109.549 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.95 78.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.635 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.23 -54.78 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.561 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HZ2' ' CB ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -61.23 -36.6 80.39 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.953 -179.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.25 -48.94 79.14 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.351 0.596 . . . . 1.0 110.138 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.895 -1.048 . . . . 1.0 111.505 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.91 -56.33 9.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.857 0.688 . . . . 1.0 112.857 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.2 p90 -77.86 -27.91 49.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 118.876 -1.129 . . . . 1.0 109.46 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt . . . . . 0 C--N 1.322 -0.629 0 C-N-CA 119.266 -0.974 . . . . 1.0 109.681 179.568 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.494 1.531 0 CA-C-O 120.945 0.31 . . . . 1.0 111.397 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.81 130.59 56.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.991 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.25 137.57 96.88 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.794 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo . . . . . 0 N--CA 1.495 1.597 0 C-N-CA 121.869 1.712 . . . . 1.0 112.112 179.049 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.068 0.461 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.254 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.15 -43.76 94.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.781 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -55.07 -46.63 75.43 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.236 -0.654 . . . . 1.0 109.236 179.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -59.45 -40.66 87.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.949 -0.76 . . . . 1.0 108.949 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.5 72.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.357 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.63 ' O ' HG13 ' A' ' 13' ' ' VAL . 92.8 mt -64.61 -42.78 96.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 121.874 0.845 . . . . 1.0 109.723 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.66 -47.42 85.68 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.167 -0.958 . . . . 1.0 110.438 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.11 -42.92 96.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.268 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 10' ' ' ILE . 1.5 p -64.08 -38.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.385 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 17' ' ' THR . 71.2 m -58.84 -45.37 90.2 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.029 -0.73 . . . . 1.0 109.029 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -42.07 98.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.182 -0.673 . . . . 1.0 109.182 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.34 -45.39 65.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.757 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 14' ' ' THR . 81.9 p -63.69 -40.41 96.73 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.899 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.89 -41.41 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.927 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 69.6 mm-40 -67.69 -41.28 83.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.023 0.44 . . . . 1.0 110.489 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.87 -41.16 86.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.882 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.84 -39.97 91.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.707 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 5.84 3.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.649 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.6 mmtt 70.25 26.87 4.25 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.938 0.774 . . . . 1.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.549 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -96.65 69.0 2.49 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.206 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.2 m-85 -56.89 -40.81 76.91 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.235 -0.291 . . . . 1.0 110.562 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.61 -53.82 51.16 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.13 0.49 . . . . 1.0 110.814 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 4.5 tp10 -65.26 -50.25 66.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.057 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.68 51.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.168 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 67' ' ' ALA . 11.0 tp -59.96 -43.03 95.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.719 0.295 . . . . 1.0 110.488 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 96.1 mtt180 -58.54 -46.03 87.66 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.624 -0.831 . . . . 1.0 110.58 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 27' ' ' GLU . 3.2 mm? -66.13 -39.28 89.75 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.665 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.54 -50.36 73.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.543 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.99 -41.35 99.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.538 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 30' ' ' ARG . 19.7 m80 -64.45 -51.6 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.82 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.01 -50.09 62.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.633 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.55 -44.0 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.487 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.16 -49.86 68.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.74 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.87 -37.88 89.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.104 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -61.58 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.012 0.434 . . . . 1.0 110.673 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.59 -38.89 91.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.45 0.643 . . . . 1.0 109.782 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.61 -35.72 81.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.265 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.486 0.66 . . . . 1.0 111.835 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 pt -65.28 -34.33 69.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 119.549 -0.86 . . . . 1.0 111.509 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 112.636 0.606 . . . . 1.0 112.636 179.556 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.218 -0.603 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -55.02 40.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.377 . . . . 1.0 111.721 -178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.78 -36.35 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.132 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.081 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 52' ' ' ALA . 15.5 mm -65.09 -47.25 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.394 -0.522 . . . . 1.0 111.002 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -56.42 -57.24 13.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.169 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.69 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.704 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -59.88 -42.94 94.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.845 -179.128 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.86 -41.31 64.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.46 -0.791 . . . . 1.0 109.559 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.49 -49.17 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.929 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.27 -46.54 76.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.483 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 27.7 m-85 -63.13 -50.46 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.91 -47.56 85.26 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.535 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -52.21 -47.2 65.74 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.421 -0.511 . . . . 1.0 110.268 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.86 -44.44 94.13 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.75 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 29' ' ' LEU . . . -62.43 -38.88 91.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.545 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.62 -54.59 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.425 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -60.97 -34.76 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.039 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.97 -47.72 85.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.2 0.524 . . . . 1.0 110.119 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -69.5 -26.52 64.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.597 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.66 -55.91 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.874 0.694 . . . . 1.0 112.874 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.1 p90 -77.9 -30.45 50.68 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.437 -0.905 . . . . 1.0 110.448 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.568 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.498 1.748 0 CA-C-O 120.897 0.29 . . . . 1.0 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -101.02 147.88 25.69 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.525 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.91 135.85 44.92 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.92 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo . . . . . 0 N--CA 1.494 1.545 0 C-N-CA 121.953 1.769 . . . . 1.0 111.943 178.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.9 m . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.852 0.358 . . . . 1.0 110.71 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -60.99 153.04 26.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.413 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -61.65 -43.87 98.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.206 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.51 -43.0 95.45 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.44 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.23 -43.62 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -63.12 -41.55 99.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.8 -47.94 79.08 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.327 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.617 ' O ' HG12 ' A' ' 13' ' ' VAL . 85.6 mt -63.84 -42.43 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.052 0.929 . . . . 1.0 109.712 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -58.88 -48.54 81.05 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.325 -0.859 . . . . 1.0 110.575 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.97 -42.5 97.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.454 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -66.84 -40.13 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 1.0 110.609 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.503 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 m -56.56 -51.75 67.4 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 1.0 109.102 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.8 ttpt -61.01 -41.58 96.83 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.188 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.9 62.65 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.716 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.3 p -64.86 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.653 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -63.39 -38.91 92.98 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.024 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.76 -40.62 84.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.85 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 41.5 t0 -58.86 -41.33 86.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.723 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 23' ' ' LYS . 23.2 mttt -66.29 -39.44 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.18 8.3 1.73 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.489 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.0 mmtt 68.33 29.35 5.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.14 69.38 1.15 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.759 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.54 -40.04 77.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.432 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -54.16 44.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.991 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -63.88 -45.14 90.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.418 -0.513 . . . . 1.0 109.782 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.49 90.97 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.218 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.79 -45.73 91.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.325 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.1 mtp-105 -60.25 -43.58 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.682 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.33 -38.89 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.614 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.26 -47.75 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 1.0 110.604 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.45 -40.27 96.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.361 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.603 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.27 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.242 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.13 -43.33 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.633 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -54.91 -49.13 72.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.989 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.45 -38.69 91.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -60.89 -48.49 81.56 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.128 0.49 . . . . 1.0 110.593 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.39 -37.85 88.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.496 0.665 . . . . 1.0 110.065 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 45' ' ' TYR . 16.6 t60 -67.61 -31.15 70.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.572 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.646 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -68.25 -47.11 68.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.722 0.772 . . . . 1.0 111.683 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 10.1 pt -66.16 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.995 -0.682 . . . . 1.0 111.804 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.33 -49.82 9.61 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.795 0.665 . . . . 1.0 112.795 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CG ' ' NE2' ' A' ' 41' ' ' HIS . 20.1 m-85 -86.35 -15.99 38.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.417 -0.811 . . . . 1.0 112.201 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.646 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 84.1 mt-10 -120.72 149.65 42.19 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 109.287 -0.635 . . . . 1.0 109.287 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -95.35 140.65 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.749 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 96.8 m-70 -159.24 155.51 27.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.565 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -57.02 166.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.25 0.547 . . . . 1.0 110.963 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.51 -52.24 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.328 -0.549 . . . . 1.0 109.852 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -52.26 -33.9 43.88 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.21 -54.76 24.55 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.732 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.7 mptp? -53.84 -49.9 67.4 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.473 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.02 -39.21 68.87 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -62.23 -44.4 96.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.324 -0.551 . . . . 1.0 110.004 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -67.61 -45.06 85.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.293 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.46 -36.68 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.857 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.443 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -70.31 -50.68 36.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.058 0.932 . . . . 1.0 110.766 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -66.82 -36.46 82.42 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.787 -0.571 . . . . 1.0 110.335 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.3 m -56.48 -50.78 70.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.214 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.3 p -63.34 -28.99 46.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.663 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -71.09 -46.36 61.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.509 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.7 m-85 -62.82 -48.17 80.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.585 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.35 -49.83 76.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.06 -0.656 . . . . 1.0 110.445 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.73 -45.78 49.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.536 -0.466 . . . . 1.0 109.852 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 18.9 mmm180 -61.25 -44.06 97.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.422 0.629 . . . . 1.0 109.627 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.77 81.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.205 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.33 -55.59 23.34 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.333 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -61.26 -37.1 81.92 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.45 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.4 mt -60.1 -47.97 83.66 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.417 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -72.65 -22.81 60.88 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.193 -0.912 . . . . 1.0 110.7 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.81 -56.66 9.44 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.673 0.619 . . . . 1.0 112.673 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.7 p90 -76.72 -29.28 56.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.297 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.7 mt -61.03 -46.97 88.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.21 -0.596 . . . . 1.0 109.441 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 179.092 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.411 HD13 HG22 ' B' ' 168' ' ' ILE . 97.2 mt . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 120.832 0.349 . . . . 1.0 110.242 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.97 109.65 12.69 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.273 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 8.2 mt -103.99 161.28 23.42 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.019 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -89.26 166.56 5.45 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.285 1.99 . . . . 1.0 111.898 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -115.32 126.32 54.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.291 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.34 143.12 19.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.772 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.67 120.56 5.91 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.121 1.881 . . . . 1.0 111.808 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 30.8 t -81.69 84.29 6.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 1.0 110.079 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -87.33 166.15 27.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.47 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -92.19 49.28 0.54 Allowed 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 122.663 2.242 . . . . 1.0 111.934 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.494 ' H ' ' CD1' ' B' ' 178' ' ' LEU . 0.1 OUTLIER -88.54 156.42 50.58 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.129 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo . . . . . 0 C--N 1.306 -1.661 0 C-N-CA 122.245 1.963 . . . . 1.0 112.327 179.539 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.912 0.387 . . . . 1.0 110.448 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t -56.29 148.82 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.405 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.429 ' OG1' ' OE2' ' A' ' 46' ' ' GLU . 7.1 m -60.86 -40.73 94.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.106 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.23 -45.52 84.33 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.076 0.465 . . . . 1.0 110.743 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -58.73 -43.4 90.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.359 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -64.25 -44.26 92.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.657 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.6 79.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.238 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.626 ' O ' HG13 ' A' ' 13' ' ' VAL . 96.6 mt -63.98 -42.65 96.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-O 121.927 0.87 . . . . 1.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.24 -47.92 82.02 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 121.567 -0.708 . . . . 1.0 110.682 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.46 -44.08 95.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.34 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 10' ' ' ILE . 2.4 p -67.09 -39.51 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.777 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.4 m -56.81 -51.54 68.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.418 0.628 . . . . 1.0 109.398 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.3 ttpt -62.65 -41.2 98.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.445 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.05 -43.54 63.82 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.404 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 14' ' ' THR . 38.0 p -65.46 -38.83 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.737 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -65.66 -37.41 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.661 . . . . 1.0 110.288 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.69 -40.55 76.29 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.591 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.33 -41.34 88.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.166 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.3 mttt -66.1 -38.81 89.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.041 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 9.88 1.43 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.57 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' H ' ' C ' ' A' ' 21' ' ' LYS . 40.7 mmtm 67.25 27.66 8.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.767 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.18 68.4 1.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 1.0 109.903 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.5 m-85 -56.85 -42.81 80.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 81.0 mt-10 -59.74 -55.34 35.56 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.266 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -63.55 -45.37 90.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.334 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.22 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.262 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.6 tp -58.25 -46.51 85.84 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 121.019 -0.272 . . . . 1.0 111.147 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -59.33 -42.94 92.65 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.476 -178.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.1 mt -68.05 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.462 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.36 -49.34 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.56 -42.31 98.35 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.666 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -63.95 -50.12 69.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.728 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.67 71.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.621 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.31 -43.0 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.342 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -55.67 -48.59 74.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -62.7 -38.99 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.569 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -61.68 -51.17 69.54 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.111 0.481 . . . . 1.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.43 -38.75 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 21.2 t60 -66.05 -34.1 77.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.497 0.665 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.69 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.24 -46.7 79.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.804 0.812 . . . . 1.0 111.565 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -66.95 -33.59 64.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.527 -0.469 . . . . 1.0 111.595 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -83.56 -50.97 7.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.229 0.538 . . . . 1.0 112.124 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 45.1 m-85 -85.67 -16.92 37.55 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.764 -0.653 . . . . 1.0 112.34 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.69 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 76.0 mt-10 -121.79 143.14 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -89.15 147.73 24.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.683 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 96.2 m-70 -156.65 -170.69 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.667 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -93.1 147.43 22.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 1.0 110.837 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -47.53 -35.13 8.46 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.309 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.91 -38.88 87.03 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.991 -0.55 . . . . 1.0 109.883 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.29 -56.18 14.14 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -53.92 14.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.609 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.56 -40.58 60.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.029 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -63.99 -42.87 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 52' ' ' ALA . 14.7 mm -66.92 -46.58 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.501 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.61 -59.25 5.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 1.0 110.251 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.28 45.8 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.956 0.408 . . . . 1.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 17.6 mmmt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.51 -40.6 62.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.729 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.13 -48.55 83.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 1.0 109.838 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -54.66 -46.37 73.99 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.496 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.48 -51.04 69.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.999 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.89 -51.24 70.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.268 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -47.33 -47.81 25.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.233 -0.284 . . . . 1.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.3 mmm-85 -59.68 -44.61 93.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.41 0.624 . . . . 1.0 110.09 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.14 81.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.485 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.55 -56.18 15.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HZ1' ' CB ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -59.18 -36.96 76.25 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 120.84 0.352 . . . . 1.0 110.308 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.8 mt -60.18 -47.37 86.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.559 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -72.17 -23.25 61.25 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.43 -0.805 . . . . 1.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.46 -57.34 7.57 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.454 0.645 . . . . 1.0 112.698 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.61 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -78.12 -27.99 48.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.408 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -61.74 -49.69 75.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 . . . . . 0 C--O 1.235 0.336 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.241 179.549 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.831 0.348 . . . . 1.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.67 108.08 14.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.602 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.66 163.49 18.86 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.748 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.547 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 33.8 Cg_endo -87.93 156.78 7.28 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.324 2.016 . . . . 1.0 112.217 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' B' ' 173' ' ' VAL . 11.9 tm-20 -100.24 125.73 46.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.664 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . 0.406 ' O ' ' OE2' ' B' ' 172' ' ' GLU . 0.0 OUTLIER -53.47 134.29 53.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.929 -179.366 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.16 152.19 61.75 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.399 2.066 . . . . 1.0 112.34 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 16.3 m -112.86 86.9 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.84 170.58 12.52 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.509 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -85.69 19.77 1.34 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.416 2.077 . . . . 1.0 112.35 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 179' ' ' PRO . 1.8 pp -45.84 137.7 5.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.476 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.433 ' C ' ' O ' ' B' ' 178' ' ' LEU . 60.3 Cg_exo . . . . . 0 C--N 1.314 -1.266 0 C-N-CA 122.527 2.151 . . . . 1.0 112.451 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.005 0.431 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 m -62.32 150.53 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -61.59 -43.1 99.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.023 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -45.5 85.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.237 0.541 . . . . 1.0 110.74 -179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -59.16 -41.95 89.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.379 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -43.78 91.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.18 84.7 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.287 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.596 ' O ' HG13 ' A' ' 13' ' ' VAL . 96.5 mt -63.08 -42.18 95.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-O 121.99 0.9 . . . . 1.0 109.609 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.15 -48.5 81.39 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.205 -0.934 . . . . 1.0 110.635 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.27 -42.99 99.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.306 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 10' ' ' ILE . 1.7 p -66.53 -39.82 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.613 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.502 ' O ' ' OG1' ' A' ' 17' ' ' THR . 16.4 m -57.16 -51.8 67.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.65 0.738 . . . . 1.0 109.354 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -61.03 -40.8 94.98 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.7 -0.8 . . . . 1.0 108.952 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.24 64.41 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.389 -0.525 . . . . 1.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.502 ' OG1' ' O ' ' A' ' 14' ' ' THR . 45.6 p -64.53 -41.32 96.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.907 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -40.66 96.75 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.257 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.97 -0.559 . . . . 1.0 109.803 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.13 -39.29 85.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.913 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' LYS . 56.3 mttt -66.16 -39.91 90.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 1.0 109.862 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 9.89 1.48 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.762 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.5 mmtt 66.61 28.41 9.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.677 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.71 69.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.319 0.581 . . . . 1.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.72 -40.64 84.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.2 -53.09 61.28 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.428 -0.509 . . . . 1.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.97 -45.36 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.94 90.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.35 -45.63 90.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.086 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.87 -44.28 94.27 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.541 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.9 mt -66.33 -38.93 88.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.773 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.36 -48.25 82.34 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.728 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.35 -41.19 98.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.556 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -64.38 -49.59 71.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.03 -49.2 63.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.091 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.73 -43.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.377 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.66 -49.51 70.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.748 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.57 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -61.41 -48.63 80.34 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.434 0.635 . . . . 1.0 110.669 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.804 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 84.2 mt -63.01 -40.08 96.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.636 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.6 t60 -64.4 -36.44 84.15 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.24 0.543 . . . . 1.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -64.43 -46.57 82.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.323 0.582 . . . . 1.0 112.482 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 pt -63.46 -33.17 59.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 121.566 -0.709 . . . . 1.0 111.775 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.804 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 17.0 mtpt -84.99 -45.95 11.67 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.821 0.675 . . . . 1.0 112.821 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 70.8 m-85 -90.9 -17.25 26.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.756 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 42' ' ' ALA . 68.8 mm-40 -121.57 130.8 53.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -80.3 139.49 36.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.024 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' C ' ' HZ3' ' A' ' 53' ' ' LYS . 86.3 m-70 -156.75 158.16 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.549 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.565 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 24.4 m -56.72 148.48 20.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.271 0.558 . . . . 1.0 110.291 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.04 -29.83 58.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 1.0 109.834 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.95 -41.3 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.735 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.3 -53.47 52.22 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.684 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.629 ' H ' ' NZ ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -47.58 -52.87 16.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 119.831 -0.748 . . . . 1.0 110.727 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.14 -39.78 63.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.867 -0.733 . . . . 1.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -63.84 -43.16 96.98 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.07 -0.652 . . . . 1.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.9 mm -67.69 -46.47 82.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.721 -0.391 . . . . 1.0 110.481 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.33 -58.24 9.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.03 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.07 -50.14 62.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.495 0.664 . . . . 1.0 110.42 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 16.0 mmmt -63.16 -41.82 99.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.2 m -52.42 -38.69 59.71 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.75 -47.81 84.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -55.65 -47.56 76.46 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.529 -0.468 . . . . 1.0 110.277 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.18 -50.22 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.715 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.9 mt -59.72 -48.0 83.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.983 -0.687 . . . . 1.0 110.42 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -51.02 -45.03 61.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 30.5 mmm-85 -60.94 -44.42 97.29 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.57 81.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.457 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -63.87 -54.8 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.299 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.164 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.39 -48.44 81.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.537 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -72.03 -23.61 61.41 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.954 -1.021 . . . . 1.0 110.842 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -65.79 -56.27 12.81 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 p90 -78.12 -29.11 48.69 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.268 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.96 -48.35 82.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.1 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.324 179.116 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 CA--C 1.505 -0.772 0 CA-C-O 121.403 0.621 . . . . 1.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -131.42 117.37 18.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.826 -1.079 . . . . 1.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.37 159.21 48.76 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.917 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.565 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 49.2 Cg_endo -92.44 169.24 2.69 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.362 2.041 . . . . 1.0 111.94 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -110.0 137.44 47.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.166 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.57 138.58 93.68 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.828 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . 0.481 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 72.7 Cg_endo -73.42 158.39 48.15 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.256 1.971 . . . . 1.0 111.86 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 50.1 m -125.51 84.81 2.32 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 109.735 -0.468 . . . . 1.0 109.735 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -86.77 169.06 15.89 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -68.64 47.65 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.122 1.881 . . . . 1.0 111.747 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 179' ' ' PRO . 24.4 mt -60.64 138.44 92.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.47 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 178' ' ' LEU . 75.3 Cg_exo . . . . . 0 N--CA 1.489 1.231 0 C-N-CA 122.149 1.899 . . . . 1.0 112.845 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 120.925 0.393 . . . . 1.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -63.69 152.55 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.348 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.39 81.99 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.395 0.616 . . . . 1.0 111.155 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.21 -46.83 87.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.797 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -63.06 -43.89 97.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.481 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.35 -43.94 75.48 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.66 -41.54 92.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-O 122.017 0.913 . . . . 1.0 109.447 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -58.5 -47.35 84.39 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.512 -0.742 . . . . 1.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.6 -44.64 93.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.415 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.164 0.507 . . . . 1.0 111.204 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.479 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.6 m -59.05 -48.28 82.17 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.247 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.5 tppt? -60.31 -40.69 91.48 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.3 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.83 66.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.513 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 14' ' ' THR . 52.9 p -63.33 -38.94 93.09 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.264 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -66.84 -38.29 86.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.91 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' CB ' ' A' ' 24' ' ' ASN . 69.1 mm-40 -70.93 -47.19 60.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.683 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.86 -45.99 74.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.981 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' H ' ' A' ' 23' ' ' LYS . 43.1 mtmt -65.76 -36.1 82.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.861 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 8.14 1.79 Allowed 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.28 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.3 mmtp 69.42 31.2 3.88 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.849 0.718 . . . . 1.0 110.726 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' CB ' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -107.99 68.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 1.0 109.771 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 8.0 m-85 -54.55 -42.93 71.53 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -55.2 33.73 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 120.317 -0.553 . . . . 1.0 111.84 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -60.53 -45.26 94.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.05 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.5 81.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.102 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 HD13 ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -60.27 -45.4 93.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.786 -0.366 . . . . 1.0 111.245 -178.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.99 -43.1 95.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.194 -0.602 . . . . 1.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -64.37 -42.53 96.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 122.353 -0.217 . . . . 1.0 111.404 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -60.31 -48.84 80.02 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.766 0.666 . . . . 1.0 111.554 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.64 -45.0 92.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.108 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.41 -48.42 79.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.595 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.69 76.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.637 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.1 t -55.27 -42.67 67.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.409 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.07 -50.66 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.511 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -62.73 -39.85 95.39 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 1.0 110.703 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -60.82 -48.8 80.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.48 -39.03 93.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.469 0.652 . . . . 1.0 110.214 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 8.0 t60 -68.77 -21.87 64.32 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.615 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -76.07 -49.39 17.62 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 121.342 0.591 . . . . 1.0 111.255 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.0 pt -64.36 -30.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 C-N-CA 120.625 -0.43 . . . . 1.0 111.728 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.09 -48.52 11.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.228 0.537 . . . . 1.0 111.554 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 26.8 m-85 -88.86 -4.17 58.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.724 -0.671 . . . . 1.0 112.119 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 40.6 mm-40 -129.52 157.16 42.8 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 48' ' ' HIS . . . -82.92 -98.4 0.05 OUTLIER 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.414 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 80.2 m-70 85.97 178.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.401 1.063 . . . . 1.0 109.817 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -88.22 176.37 7.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.03 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.89 -49.73 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.839 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -62.4 -26.21 68.35 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -69.9 -50.26 44.05 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -58.49 -47.95 82.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.95 -0.3 . . . . 1.0 110.441 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -58.18 -35.61 71.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.068 0.461 . . . . 1.0 110.135 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.525 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 8.9 mm -69.3 -44.58 80.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.984 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.16 -41.73 97.03 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.113 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -66.76 -46.24 76.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.847 0.832 . . . . 1.0 110.879 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 1.0 OUTLIER -71.14 -35.67 71.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.311 0.577 . . . . 1.0 110.765 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 9.2 m -56.44 -47.39 79.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.724 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.3 p -66.06 -30.53 50.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.763 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -66.09 -44.99 82.79 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.353 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -67.11 -42.4 84.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.76 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.71 -28.19 68.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.263 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -69.29 -47.9 63.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 13.7 mmm180 -64.14 -40.05 95.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.54 0.686 . . . . 1.0 110.049 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.0 85.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -67.53 -56.71 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.444 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.54 -35.7 76.64 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 mt -58.71 -46.68 86.78 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.147 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' N ' HD13 ' A' ' 29' ' ' LEU . 29.3 ttmt -72.71 -23.18 60.82 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.699 0.761 . . . . 1.0 109.869 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -66.94 -57.37 7.05 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.138 0.792 . . . . 1.0 113.138 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.5 p90 -77.05 -29.02 54.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.26 -47.1 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.093 0.473 . . . . 1.0 110.444 179.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 120.879 0.371 . . . . 1.0 110.393 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -132.11 103.04 6.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.769 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.51 163.86 29.05 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.765 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.504 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 29.2 Cg_endo -87.29 164.38 8.31 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.343 2.029 . . . . 1.0 111.949 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.03 126.36 51.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.589 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' B' ' 174' ' ' PRO . 0.0 OUTLIER -50.97 144.03 14.45 Favored Pre-proline 0 N--CA 1.443 -0.819 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.758 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 173' ' ' VAL . 7.2 Cg_exo -71.71 156.75 56.86 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.31 2.007 . . . . 1.0 112.137 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 25.2 m -125.04 85.8 2.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.048 0.451 . . . . 1.0 110.42 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -86.97 166.79 24.68 Favored Pre-proline 0 N--CA 1.447 -0.598 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.579 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -67.99 57.09 0.82 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.454 2.103 . . . . 1.0 112.027 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' B' ' 179' ' ' PRO . 0.5 OUTLIER -126.58 145.17 52.22 Favored Pre-proline 0 C--N 1.333 -0.124 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.126 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.438 ' C ' ' O ' ' B' ' 178' ' ' LEU . 76.6 Cg_exo . . . . . 0 C--N 1.307 -1.641 0 C-N-CA 122.541 2.161 . . . . 1.0 112.349 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 m . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.679 0.276 . . . . 1.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m -59.63 154.7 17.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.121 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -60.87 -45.23 95.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.093 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.41 -42.98 78.19 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.078 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -58.46 -46.48 86.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 1.0 109.709 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -61.39 -37.66 84.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.615 -0.72 . . . . 1.0 109.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.23 90.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.482 0.658 . . . . 1.0 110.081 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.4 mt -65.0 -41.36 91.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.078 0.942 . . . . 1.0 110.062 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.65 -43.5 96.55 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.271 -0.572 . . . . 1.0 110.558 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.19 -45.02 90.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.722 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 63' ' ' TYR . 9.8 p -69.06 -34.2 62.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.616 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.469 ' O ' ' OG1' ' A' ' 17' ' ' THR . 98.7 m -58.97 -48.24 82.25 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.837 0.827 . . . . 1.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -63.53 -41.78 98.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.434 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.79 -43.22 62.96 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.053 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 14' ' ' THR . 41.1 p -66.74 -36.27 82.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.439 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.97 -40.04 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.566 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.12 -42.12 73.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.18 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.28 -44.15 83.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.657 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 23' ' ' LYS . 38.6 mtmt -66.46 -38.32 87.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.773 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 11.91 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.527 ' H ' ' C ' ' A' ' 21' ' ' LYS . 15.4 mmmt 66.02 22.64 11.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.526 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.15 69.68 2.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.569 0.699 . . . . 1.0 109.913 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.584 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 2.6 m-85 -55.39 -45.8 76.58 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.747 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.01 -54.1 50.88 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.685 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -63.96 -46.39 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.071 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.69 78.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.513 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 71' ' ' LYS . 0.5 OUTLIER -59.16 -46.75 87.56 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.939 -179.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -58.49 -42.92 88.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.736 -0.786 . . . . 1.0 110.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.6 mt -66.62 -40.64 88.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.73 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 1.0 110.785 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -60.83 -45.38 94.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.481 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -60.01 -49.32 78.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.273 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.66 65.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.8 t -56.16 -45.64 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.366 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.58 -49.5 72.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.0 110.714 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -63.74 -40.25 96.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.767 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.54 -50.38 72.89 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.377 0.608 . . . . 1.0 110.18 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 81.7 mt -63.16 -42.5 99.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.921 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.622 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 t60 -64.45 -28.04 69.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.199 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -73.49 -46.93 45.11 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 112.185 0.439 . . . . 1.0 112.185 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.409 ' CG1' ' O ' ' A' ' 40' ' ' LEU . 7.9 pt -59.26 -29.47 41.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 120.143 -0.623 . . . . 1.0 111.198 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.86 -41.4 17.51 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.374 0.509 . . . . 1.0 112.374 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.622 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 39.0 m-85 -95.69 -11.58 26.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.277 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 42' ' ' ALA . 57.9 mm-40 -123.85 32.91 5.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -17.5 84.23 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.367 1.042 . . . . 1.0 111.08 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.754 ' H ' ' HZ3' ' A' ' 53' ' ' LYS . 63.9 m-70 -79.38 -143.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.979 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 m -103.56 154.51 19.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -48.44 -39.31 22.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -64.13 -42.2 96.92 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.392 0.615 . . . . 1.0 109.832 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -63.39 -55.85 21.05 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.43 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.754 ' HZ3' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -48.11 -53.1 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.08 -0.648 . . . . 1.0 110.743 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -52.59 -41.52 63.71 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.644 -0.822 . . . . 1.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -63.29 -44.05 96.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.591 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.8 mm -68.48 -44.4 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 121.044 0.45 . . . . 1.0 110.847 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.06 -38.46 88.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.75 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -68.61 -48.74 63.34 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 122.084 0.945 . . . . 1.0 110.546 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.611 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 9.1 mmmm -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.588 0.709 . . . . 1.0 110.495 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.9 m -55.5 -51.42 67.06 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.142 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.5 p -63.82 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.832 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.27 -46.49 67.1 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.481 -0.487 . . . . 1.0 110.726 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.611 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 28.0 m-85 -62.06 -49.04 77.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.702 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.2 -50.75 72.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.661 -0.815 . . . . 1.0 109.771 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.652 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 62.9 t0 -48.94 -41.32 33.48 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.249 -0.648 . . . . 1.0 109.249 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -68.07 -46.55 70.74 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.526 -0.869 . . . . 1.0 110.929 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.42 94.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.477 -177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.652 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -64.71 -47.66 77.51 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -62.95 -33.71 75.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.84 -0.744 . . . . 1.0 109.565 -179.231 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 32.4 mt -61.81 -45.1 95.3 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.362 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 29' ' ' LEU . 31.8 ttmt -70.93 -23.55 62.27 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.513 -1.221 . . . . 1.0 110.544 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -67.32 -57.09 7.28 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.761 0.791 . . . . 1.0 112.947 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.584 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.9 p90 -75.92 -29.97 58.58 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.42 -0.912 . . . . 1.0 110.176 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.94 -47.72 85.12 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.401 -0.519 . . . . 1.0 110.277 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.912 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.439 HG22 HD12 ' B' ' 168' ' ' ILE . 97.0 mt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.876 0.369 . . . . 1.0 110.22 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -131.77 109.93 10.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.228 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.8 mp -106.09 164.24 15.38 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.317 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -85.12 164.77 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.062 1.841 . . . . 1.0 111.848 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -108.6 143.6 37.43 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.343 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.65 134.75 92.54 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.94 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.02 137.21 28.76 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.029 1.819 . . . . 1.0 111.786 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 25.9 p -110.28 85.23 2.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.854 0.359 . . . . 1.0 110.164 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -87.27 171.3 10.1 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -70.74 46.55 0.63 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.037 1.824 . . . . 1.0 111.525 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' B' ' 179' ' ' PRO . 0.4 OUTLIER -104.71 147.94 35.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.205 -0.294 . . . . 1.0 110.205 -179.03 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.479 ' O ' ' NZ ' ' A' ' 69' ' ' LYS . 65.4 Cg_exo . . . . . 0 N--CA 1.496 1.637 0 C-N-CA 122.374 2.049 . . . . 1.0 111.656 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.755 0.312 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -57.84 147.75 27.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.407 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' OG1' ' OE2' ' A' ' 46' ' ' GLU . 8.1 m -61.17 -41.82 97.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.35 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -45.7 85.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.253 0.549 . . . . 1.0 110.89 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.36 -44.6 88.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.437 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -63.1 -43.75 97.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.461 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.23 -47.65 78.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.229 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.3 mt -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.995 0.903 . . . . 1.0 109.786 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -59.58 -47.84 84.01 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.184 -0.948 . . . . 1.0 110.764 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.54 -42.57 95.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.176 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.3 p -66.78 -39.57 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.355 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.504 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.4 m -58.93 -48.87 79.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.465 0.65 . . . . 1.0 109.437 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -61.05 -40.82 95.08 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.078 -0.712 . . . . 1.0 109.078 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.39 -42.58 74.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.324 -0.55 . . . . 1.0 111.059 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.9 p -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.175 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.549 0.69 . . . . 1.0 110.473 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.57 -39.32 94.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.425 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.77 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.9 mttt -65.09 -40.28 94.37 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 10.81 1.26 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.499 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 66.17 28.22 10.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -99.12 69.64 1.74 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 121.32 0.581 . . . . 1.0 109.889 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 5.1 m-85 -57.25 -42.68 82.0 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 122.123 -0.361 . . . . 1.0 110.644 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.1 -53.16 61.03 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.002 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.599 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 14.0 tp10 -66.47 -43.64 84.91 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 121.906 0.86 . . . . 1.0 109.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.06 96.67 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.493 -0.754 . . . . 1.0 110.569 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.6 tp -59.12 -48.64 80.85 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.574 0.583 . . . . 1.0 112.574 -178.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.599 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 12.4 ptm180 -60.84 -40.65 93.63 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.577 -0.849 . . . . 1.0 110.094 -178.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 58.4 mt -64.82 -39.63 93.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.02 -47.88 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.21 -42.67 99.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.513 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.391 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.42 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.079 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.472 ' O ' HD22 ' A' ' 40' ' ' LEU . 50.9 t -57.84 -45.37 87.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.255 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -53.32 -49.37 67.19 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 120.064 -0.654 . . . . 1.0 111.067 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.85 -37.99 86.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -61.88 -50.05 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.034 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 36' ' ' VAL . 3.7 mm? -61.39 -39.34 90.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.285 0.564 . . . . 1.0 110.26 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.638 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 19.3 t-80 -67.01 -30.38 70.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.333 0.587 . . . . 1.0 110.062 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -69.97 -47.82 60.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.501 0.667 . . . . 1.0 111.333 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.6 pt -64.13 -32.38 57.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.969 -0.692 . . . . 1.0 111.248 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.45 -47.83 11.78 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.164 0.507 . . . . 1.0 112.289 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.638 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 22.5 m-85 -90.02 -10.09 46.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.994 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 83.9 mt-10 -129.7 27.5 5.22 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -7.89 100.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.087 0.867 . . . . 1.0 111.483 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 46' ' ' GLU . 82.7 m-70 -100.48 170.27 8.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.082 -178.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -55.89 159.68 3.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -59.24 -37.5 77.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.492 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.25 -47.74 78.45 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.291 0.567 . . . . 1.0 109.924 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -51.9 64.49 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.704 178.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -52.07 -52.2 52.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.755 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.72 -39.43 62.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.804 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 t -62.19 -44.13 97.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.836 -0.746 . . . . 1.0 110.415 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.533 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 18.6 mm -64.83 -49.17 81.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 120.865 0.364 . . . . 1.0 110.847 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -54.21 -58.1 8.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.251 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.26 57.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 1.0 110.64 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' CG ' ' CE2' ' A' ' 63' ' ' TYR . 1.1 tptt -60.71 -42.35 97.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.243 0.544 . . . . 1.0 110.941 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 92.3 m -52.88 -43.09 65.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.987 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.7 -48.84 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.82 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -54.48 -46.81 73.48 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.356 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CE2' ' CG ' ' A' ' 59' ' ' LYS . 27.4 m-85 -62.48 -50.21 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.79 -48.61 80.98 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.942 -0.703 . . . . 1.0 110.514 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -50.88 -45.67 60.13 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.48 -0.488 . . . . 1.0 109.928 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -60.0 -45.85 91.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.112 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.97 79.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.731 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.75 -54.52 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.95 -36.52 81.66 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.219 -0.593 . . . . 1.0 110.553 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 18.3 mt -60.62 -48.92 79.64 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.176 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.67 -25.93 63.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.398 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -64.25 -55.16 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.7 p90 -78.72 -30.26 45.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.573 -0.851 . . . . 1.0 110.631 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 mt -61.2 -49.53 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.199 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.54 179.411 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 110.067 -0.346 . . . . 1.0 110.067 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -120.77 109.38 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.317 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.14 164.05 20.25 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.092 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -86.14 161.39 10.06 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.117 1.878 . . . . 1.0 111.993 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.53 120.82 42.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.093 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.77 134.58 36.75 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.749 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.08 161.88 42.22 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.223 1.949 . . . . 1.0 112.062 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 34.6 p -131.57 86.0 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.794 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' B' ' 178' ' ' LEU . 15.7 mp0 -85.3 170.61 12.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -66.84 20.43 0.1 Allowed 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.619 2.212 . . . . 1.0 112.561 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.553 ' H ' ' C ' ' B' ' 176' ' ' GLU . 0.6 OUTLIER -69.67 144.13 93.44 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.297 -179.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.496 1.636 0 C-N-CA 121.832 1.688 . . . . 1.0 111.929 -179.57 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.065 0.459 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m -58.48 149.86 24.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -60.57 -43.76 96.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.191 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.92 -44.26 85.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.616 0.722 . . . . 1.0 110.84 -179.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.62 -43.17 99.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.497 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -65.56 -44.09 87.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.624 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.208 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.585 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.2 mt -65.02 -40.47 89.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 122.059 0.933 . . . . 1.0 109.59 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -60.71 -44.77 96.18 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.517 -0.74 . . . . 1.0 110.403 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.04 -43.79 91.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.481 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.93 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.488 ' O ' ' OG1' ' A' ' 17' ' ' THR . 12.3 m -57.06 -50.71 71.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.607 0.718 . . . . 1.0 109.147 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 26.2 ttpt -64.24 -41.52 96.95 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.112 -0.635 . . . . 1.0 109.455 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.92 -44.41 63.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.913 -0.492 . . . . 1.0 110.592 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 14' ' ' THR . 35.0 p -64.81 -38.27 90.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.768 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.04 -38.76 89.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.404 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 68.8 mm-40 -67.02 -39.92 87.13 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.614 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 38.9 t0 -58.42 -41.38 84.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.788 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' LYS . 51.8 mttt -65.63 -40.45 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 12.57 0.69 Allowed 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.546 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.9 mmtt 64.68 29.08 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.817 0.698 . . . . 1.0 110.859 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -100.77 67.03 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.0 109.865 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.627 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.0 m-85 -56.47 -43.24 79.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -59.18 -53.51 57.51 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.491 -0.484 . . . . 1.0 111.202 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.41 -46.21 80.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.302 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.2 84.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.212 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.73 -47.42 84.66 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.311 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.03 -42.86 86.24 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.169 -0.612 . . . . 1.0 110.625 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.7 mt -67.73 -39.02 84.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.798 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -59.48 -48.99 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.922 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 HE22 ' HZ3' ' A' ' 71' ' ' LYS . 87.6 mt-30 -62.57 -44.18 96.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.628 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -61.28 -49.43 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -48.55 70.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 36.4 t -55.0 -44.57 74.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -55.17 -49.34 72.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.475 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -62.84 -39.25 93.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -60.98 -50.54 72.97 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.5 0.667 . . . . 1.0 110.697 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.8 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 57.9 mt -62.73 -41.06 98.99 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.507 -0.769 . . . . 1.0 109.713 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.629 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.2 t60 -62.76 -34.33 77.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.18 0.514 . . . . 1.0 110.96 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.53 -46.8 78.17 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.669 0.747 . . . . 1.0 112.575 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.412 ' CG1' ' O ' ' A' ' 40' ' ' LEU . 8.1 pt -63.14 -34.01 64.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 O-C-N 121.675 -0.64 . . . . 1.0 111.952 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.8 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.0 mtpt -84.59 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.619 0.6 . . . . 1.0 112.619 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.629 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 80.0 m-85 -90.55 -18.34 25.42 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.012 -178.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 71.4 mm-40 -120.11 118.94 31.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.387 0.613 . . . . 1.0 109.595 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -70.74 146.12 50.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.719 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 90.5 m-70 -155.78 -164.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.626 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.3 m -96.3 147.12 24.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 1.0 110.998 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -47.67 -35.94 10.32 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.333 -0.394 . . . . 1.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.96 -38.46 91.03 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -64.89 -56.65 12.05 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -46.76 -54.43 9.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.13 -41.11 64.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.568 . . . . 1.0 109.589 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -62.51 -44.25 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.114 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.59 -44.61 86.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.358 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.02 -38.71 92.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' O ' HG13 ' A' ' 61' ' ' VAL . . . -68.98 -50.9 44.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.758 0.79 . . . . 1.0 110.502 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.532 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 19.7 mmmt -65.38 -37.66 87.66 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.716 -0.615 . . . . 1.0 110.455 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -55.07 -50.33 69.42 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.971 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 58' ' ' ALA . 1.1 p -63.13 -29.88 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.552 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.0 -46.89 64.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.349 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE1' HG22 ' A' ' 13' ' ' VAL . 25.8 m-85 -62.33 -48.5 79.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.557 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.04 -51.08 71.19 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.015 -0.674 . . . . 1.0 110.274 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.46 -46.56 38.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 31.9 mmm-85 -60.88 -44.59 96.88 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.19 -0.604 . . . . 1.0 109.875 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -34.19 74.74 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.373 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.35 -55.55 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 ptmm? -60.11 -37.18 79.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.491 -0.483 . . . . 1.0 110.165 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 20.7 mt -60.85 -48.41 81.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.376 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.503 ' HZ3' HE22 ' A' ' 33' ' ' GLN . 12.6 ttmm -70.93 -23.38 62.24 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.903 -1.044 . . . . 1.0 110.451 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.25 -57.39 6.77 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.6 p90 -75.72 -29.58 58.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.323 -0.853 . . . . 1.0 109.915 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.04 -48.18 82.98 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 . . . . . 0 C--N 1.331 -0.222 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -128.81 112.46 14.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.149 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.01 164.21 15.44 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.532 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 18.3 Cg_endo -82.69 163.59 16.32 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.326 2.017 . . . . 1.0 112.149 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -106.34 126.47 52.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.114 0.483 . . . . 1.0 110.286 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.42 136.27 32.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.804 -179.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . 0.484 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 59.4 Cg_endo -73.84 140.45 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.253 1.969 . . . . 1.0 111.956 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 90.3 p -107.78 85.32 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 1.0 110.217 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -87.02 154.69 55.23 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -71.36 55.64 2.01 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.485 2.123 . . . . 1.0 111.428 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' B' ' 179' ' ' PRO . 0.3 OUTLIER -105.65 147.5 34.79 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.151 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' B' ' 178' ' ' LEU . 76.5 Cg_exo . . . . . 0 C--N 1.308 -1.605 0 C-N-CA 122.452 2.101 . . . . 1.0 112.38 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.1 m . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 121.372 0.606 . . . . 1.0 110.671 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 158.68 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.199 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' OG1' ' OE2' ' A' ' 46' ' ' GLU . 7.4 m -61.66 -44.04 97.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.296 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.59 -46.53 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.466 0.65 . . . . 1.0 110.772 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.27 -44.9 88.61 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.501 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -63.67 -43.26 97.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.204 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.29 79.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.987 -179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.539 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.8 -42.31 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 122.181 0.991 . . . . 1.0 109.672 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -59.86 -48.69 80.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.392 -0.818 . . . . 1.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.05 -43.45 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.019 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -67.8 -39.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' OG1' ' A' ' 17' ' ' THR . 46.8 m -56.47 -50.84 70.54 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.743 0.783 . . . . 1.0 109.415 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.27 -40.38 93.88 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.442 -0.903 . . . . 1.0 109.237 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.3 -42.26 63.62 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.236 -0.586 . . . . 1.0 110.729 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 14' ' ' THR . 70.3 p -66.56 -40.16 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.626 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.71 -41.21 99.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.674 0.75 . . . . 1.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.8 -41.76 91.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.165 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.7 -41.63 86.71 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.927 -0.578 . . . . 1.0 109.669 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.7 mttt -66.26 -38.97 89.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.907 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 11.43 0.79 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.514 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' LYS . 16.0 mmmt 65.99 29.57 10.09 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.587 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -103.18 71.2 1.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.464 0.649 . . . . 1.0 110.013 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.3 m-85 -57.82 -43.72 85.94 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.29 -53.1 61.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.351 -0.54 . . . . 1.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.04 -44.87 87.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 1.0 110.354 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.33 89.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 71' ' ' LYS . 1.1 tt -61.65 -44.86 96.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.924 0.393 . . . . 1.0 110.976 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.618 -0.833 . . . . 1.0 110.307 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.32 -39.93 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.021 0.439 . . . . 1.0 110.664 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.43 -42.22 98.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.81 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.39 -50.89 65.87 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.5 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.43 -48.42 62.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -58.2 -43.28 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.491 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -55.27 -49.76 71.25 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.17 -38.05 89.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.765 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.53 -48.05 82.81 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.437 0.636 . . . . 1.0 110.78 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.8 -39.02 92.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.566 0.698 . . . . 1.0 109.504 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 31.5 t60 -64.15 -35.41 80.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.503 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.6 -46.42 79.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.861 0.839 . . . . 1.0 112.255 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.67 -34.52 70.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.071 -1.018 . . . . 1.0 111.432 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -83.78 -47.38 11.21 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 43.9 m-85 -91.35 -16.24 27.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.726 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 93.2 mt-10 -120.58 142.91 48.94 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.35 146.69 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.404 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -158.11 -172.02 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.433 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.2 m -89.25 146.39 24.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.728 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -47.85 -35.9 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 1.0 110.413 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.12 -40.1 86.77 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.363 0.601 . . . . 1.0 110.368 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.34 -44.56 87.36 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.772 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -57.88 -52.66 64.56 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.618 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.03 -37.5 64.18 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.337 -0.545 . . . . 1.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.23 -43.37 98.97 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.806 -0.757 . . . . 1.0 110.571 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -66.19 -47.0 86.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.992 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -59.98 -57.94 10.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.419 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -51.97 -48.39 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.947 0.879 . . . . 1.0 110.113 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.554 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 8.6 mmmm -66.53 -39.63 88.72 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.951 -0.7 . . . . 1.0 111.179 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.7 m -55.63 -49.32 73.16 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.423 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.11 -29.91 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.99 -46.87 64.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.299 -0.561 . . . . 1.0 110.445 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.554 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 31.0 m-85 -61.21 -48.49 81.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.271 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt -60.42 -48.75 80.42 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.006 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -50.09 -45.21 52.44 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.077 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.701 ' NE ' ' HZ3' ' A' ' 69' ' ' LYS . 14.3 mmm180 -60.92 -45.12 95.94 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.601 -0.84 . . . . 1.0 109.984 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -34.05 75.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.744 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.38 -54.46 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.296 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.701 ' HZ3' ' NE ' ' A' ' 66' ' ' ARG . 7.3 pttm -60.8 -35.26 76.05 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.768 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.29 -46.87 88.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.377 0.608 . . . . 1.0 110.039 -178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' HD11 ' A' ' 29' ' ' LEU . 26.5 ttpt -70.88 -24.67 62.54 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.742 -1.117 . . . . 1.0 111.236 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -66.68 -55.62 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.564 . . . . 1.0 112.507 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 10.3 p90 -77.97 -29.35 49.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.229 -0.989 . . . . 1.0 109.875 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.6 mt -58.85 -47.92 83.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.991 -0.684 . . . . 1.0 109.421 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.238 179.269 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 14.7 mt . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.014 0.435 . . . . 1.0 110.145 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -117.16 127.01 53.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.674 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 12.5 mt -123.98 151.61 65.35 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.404 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -68.98 164.6 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.122 1.881 . . . . 1.0 112.071 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -107.91 120.21 41.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -50.39 130.1 25.36 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.648 -178.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . 0.479 ' O ' ' CZ ' ' A' ' 66' ' ' ARG . 72.0 Cg_endo -72.2 152.3 55.89 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.063 1.842 . . . . 1.0 112.155 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 95.5 p -119.55 85.82 2.44 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.57 169.25 19.57 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.716 -0.22 . . . . 1.0 111.029 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -68.12 70.13 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.506 1.471 . . . . 1.0 112.074 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.63 149.09 52.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.836 -0.431 . . . . 1.0 109.836 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 N--CA 1.494 1.52 0 C-N-CA 121.747 1.631 . . . . 1.0 112.006 -179.523 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.141 0.496 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m -72.04 159.05 34.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.433 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.85 -46.49 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.437 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.198 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.51 ' O ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -54.22 -51.69 63.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.159 -0.616 . . . . 1.0 109.644 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -57.82 -40.13 79.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 119.808 -0.757 . . . . 1.0 109.21 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.36 77.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 119.947 -0.701 . . . . 1.0 110.485 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.582 ' O ' HG13 ' A' ' 13' ' ' VAL . 91.3 mt -65.35 -42.12 92.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.327 1.061 . . . . 1.0 109.707 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.58 -46.68 88.22 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 120.959 -1.088 . . . . 1.0 110.717 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.43 -42.56 95.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.379 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 10' ' ' ILE . 1.8 p -67.5 -38.9 81.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.311 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.481 ' O ' ' OG1' ' A' ' 17' ' ' THR . 8.3 m -57.37 -50.79 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.996 0.903 . . . . 1.0 109.057 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -61.43 -41.58 97.4 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.286 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.14 -44.16 67.54 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.282 -0.567 . . . . 1.0 111.333 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 14' ' ' THR . 32.5 p -63.75 -41.27 98.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.604 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -40.26 94.18 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.032 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.0 109.92 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.05 -40.22 84.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.575 -0.739 . . . . 1.0 109.628 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 23' ' ' LYS . 60.5 mttt -66.01 -39.94 90.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.773 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 10.69 1.26 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.4 mmtp 66.1 30.11 9.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.926 0.766 . . . . 1.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.28 69.49 1.14 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.417 0.627 . . . . 1.0 109.963 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.0 -39.93 79.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.316 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -62.96 -52.3 63.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.244 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.9 tp10 -66.09 -43.29 87.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.208 1.004 . . . . 1.0 109.544 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.59 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.8 tp -59.47 -47.95 83.53 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 13.5 ptm180 -61.35 -42.6 98.95 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.595 -0.842 . . . . 1.0 109.778 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 75.6 mt -64.23 -38.92 92.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.265 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -59.41 -47.13 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.296 0.569 . . . . 1.0 110.578 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -40.94 98.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -64.43 -50.66 66.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.32 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.06 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -57.64 -43.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.482 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.63 -49.41 70.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.114 0.483 . . . . 1.0 110.761 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -64.26 -38.55 91.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.108 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -61.69 -49.2 77.46 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.728 0.775 . . . . 1.0 110.478 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.745 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 73.9 mt -63.0 -40.23 97.16 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.487 -0.779 . . . . 1.0 109.415 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.633 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 21.8 t60 -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.454 -0.498 . . . . 1.0 110.993 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -65.4 -46.77 78.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.747 0.784 . . . . 1.0 112.579 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 6.2 pt -62.68 -33.03 57.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 119.494 -0.883 . . . . 1.0 111.631 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.745 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.4 mtpt -84.2 -44.86 13.52 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.988 0.736 . . . . 1.0 112.988 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 67.7 m-85 -92.01 -15.24 28.17 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.446 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' ALA . 65.8 mm-40 -121.39 135.55 55.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -84.63 140.34 31.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.643 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 95.1 m-70 -160.05 154.55 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.62 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -57.48 166.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.253 0.549 . . . . 1.0 111.049 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.71 -52.04 67.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.783 -0.767 . . . . 1.0 109.987 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -51.9 -35.55 45.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -64.71 -53.77 42.0 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.776 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.6 mptp? -54.07 -49.55 68.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.484 -0.487 . . . . 1.0 110.171 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -54.16 -39.57 66.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.98 -43.32 99.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.858 -0.737 . . . . 1.0 110.254 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.5 mm -68.71 -44.43 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.475 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.0 -37.49 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -70.2 -48.24 57.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.268 1.033 . . . . 1.0 110.518 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.537 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.5 mmmt -68.01 -36.94 80.79 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 119.725 -0.79 . . . . 1.0 110.38 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 7.2 m -55.48 -50.24 70.41 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.038 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.6 p -63.76 -29.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.439 -0.504 . . . . 1.0 110.642 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.41 -47.45 64.11 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.857 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -62.25 -48.11 81.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 mt -60.15 -49.03 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -49.71 -45.44 49.06 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.062 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -61.01 -44.57 97.22 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.857 -0.737 . . . . 1.0 109.69 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.29 -36.36 79.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.377 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.54 -54.75 27.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -36.38 79.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.925 -0.71 . . . . 1.0 109.963 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.56 -48.16 83.0 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.121 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.41 -25.17 63.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.845 -1.07 . . . . 1.0 110.811 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -65.55 -56.04 14.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.828 0.823 . . . . 1.0 112.873 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.0 p90 -78.26 -29.48 48.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 119.525 -0.87 . . . . 1.0 109.887 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.7 mt -59.29 -48.68 80.71 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.543 -0.863 . . . . 1.0 109.764 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.497 -0.774 . . . . 1.0 109.93 179.646 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.403 HG22 HD12 ' B' ' 168' ' ' ILE . 93.1 mt . . . . . 0 CA--C 1.512 -0.484 0 N-CA-C 110.148 -0.316 . . . . 1.0 110.148 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -120.52 103.59 9.29 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.282 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.23 164.53 17.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.368 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.537 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 24.8 Cg_endo -83.65 167.66 13.06 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.058 1.838 . . . . 1.0 111.898 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.94 136.47 51.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.435 0.636 . . . . 1.0 110.359 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -63.28 135.69 96.36 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.59 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -71.77 153.74 59.06 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.103 1.869 . . . . 1.0 112.114 179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 19.1 t -128.79 85.31 2.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.049 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.61 ' C ' ' H ' ' B' ' 178' ' ' LEU . 21.9 mt-10 -87.35 175.62 4.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.287 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -65.41 31.06 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.363 2.042 . . . . 1.0 111.949 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.61 ' H ' ' C ' ' B' ' 176' ' ' GLU . 17.0 mt -43.5 151.94 0.44 Allowed Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.871 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 N--CA 1.496 1.658 0 C-N-CA 121.262 1.308 . . . . 1.0 112.194 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 120.96 0.409 . . . . 1.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.5 154.41 36.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.414 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.04 -41.89 93.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.959 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -44.41 88.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.35 0.595 . . . . 1.0 110.867 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.71 -39.18 90.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.608 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -66.91 -44.0 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.86 86.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.021 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.567 ' O ' HG11 ' A' ' 13' ' ' VAL . 96.6 mt -63.22 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.922 0.868 . . . . 1.0 109.79 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -59.8 -45.04 93.58 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 121.26 -0.9 . . . . 1.0 110.743 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.56 -42.79 91.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.644 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG11 ' O ' ' A' ' 10' ' ' ILE . 2.5 p -67.59 -38.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 1.0 110.411 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 17' ' ' THR . 72.4 m -57.77 -48.47 79.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.32 -42.1 98.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.329 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.55 -43.46 65.22 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.528 -0.469 . . . . 1.0 111.072 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.1 p -65.66 -40.31 92.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.95 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -63.78 -40.56 96.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.865 -0.734 . . . . 1.0 110.329 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.16 -38.99 89.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.812 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 47.2 t0 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.891 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 23' ' ' LYS . 53.2 mttt -65.62 -40.15 92.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.582 -0.447 . . . . 1.0 109.828 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.06 10.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.678 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 21' ' ' LYS . 70.8 mmtt 66.45 23.21 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.75 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.49 67.82 3.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.33 0.586 . . . . 1.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.88 -41.2 82.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.471 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.32 -53.17 60.79 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.339 -0.544 . . . . 1.0 111.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.54 -45.78 82.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.96 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.55 82.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.88 -46.36 88.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.12 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -59.11 -42.82 91.46 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.94 -0.704 . . . . 1.0 110.472 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.17 -39.17 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.768 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.04 -49.49 77.44 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.085 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.11 -42.48 99.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -63.37 -50.32 70.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.05 -46.76 72.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.758 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.8 t -57.28 -44.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.073 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -54.33 -49.22 70.24 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.466 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.74 -38.35 90.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.424 -0.511 . . . . 1.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -61.35 -50.01 74.63 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.673 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.728 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 58.6 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.997 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.637 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 17.9 t-80 -66.19 -30.54 71.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.137 0.494 . . . . 1.0 111.035 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -69.71 -48.28 60.14 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 122.091 -0.381 . . . . 1.0 111.774 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 40' ' ' LEU . 9.3 pt -59.53 -31.37 46.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 120.353 -0.539 . . . . 1.0 112.2 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.728 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 9.2 mtpt -84.58 -41.96 15.92 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.885 0.698 . . . . 1.0 112.885 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 33.0 m-85 -88.06 -17.86 30.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.534 -177.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 73.1 mm-40 -85.99 -123.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.412 -0.515 . . . . 1.0 110.857 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.535 ' C ' ' HZ2' ' A' ' 53' ' ' LYS . . . 174.49 15.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.604 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' N ' ' NZ ' ' A' ' 53' ' ' LYS . 87.3 m-70 -47.73 151.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.304 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 m -59.18 169.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 1.0 110.726 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.4 -34.09 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.556 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.84 -46.25 85.87 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.382 0.61 . . . . 1.0 110.462 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.96 79.5 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.653 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' NZ ' ' N ' ' A' ' 48' ' ' HIS . 1.5 mptt -50.75 -50.3 56.03 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.38 -39.71 67.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.496 -0.482 . . . . 1.0 109.814 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -60.87 -43.47 98.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.842 -0.743 . . . . 1.0 110.524 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.48 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 21.3 mm -66.42 -44.76 90.48 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.234 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.72 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.914 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.589 ' O ' HG11 ' A' ' 61' ' ' VAL . . . -51.52 -49.8 61.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.978 0.894 . . . . 1.0 110.193 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.574 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.1 mmmt -64.5 -40.31 95.41 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.319 -0.863 . . . . 1.0 111.182 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.48 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 22.5 m -54.01 -43.94 70.5 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.162 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.589 HG11 ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.336 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -69.53 -47.96 62.01 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.228 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.93 -48.67 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.41 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mt -59.24 -48.82 80.19 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.739 -0.784 . . . . 1.0 110.118 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.8 -45.18 49.65 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.781 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 33.9 mmm-85 -61.46 -44.46 97.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.948 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.485 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.71 -55.06 22.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.303 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.77 -37.17 83.32 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.454 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.82 -49.16 78.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.185 0.517 . . . . 1.0 110.554 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -70.81 -22.39 62.35 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.793 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.84 -57.02 6.97 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.568 0.699 . . . . 1.0 112.694 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.2 p90 -76.1 -30.01 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.497 -0.881 . . . . 1.0 110.103 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.1 mt -60.14 -47.85 84.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 . . . . . 0 C--N 1.323 -0.572 0 C-N-CA 120.124 -0.631 . . . . 1.0 109.415 179.213 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 CA--C 1.504 -0.806 0 CA-C-O 121.588 0.709 . . . . 1.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -133.15 118.3 18.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.794 -1.094 . . . . 1.0 110.924 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 17.8 mt -129.94 157.6 76.4 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.172 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.574 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 41.7 Cg_endo -93.53 -164.43 0.11 Allowed 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.258 1.972 . . . . 1.0 111.523 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -134.86 139.89 45.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.325 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -68.81 131.21 91.22 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.696 -179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.61 92.94 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.074 1.85 . . . . 1.0 111.793 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 96.1 p -75.98 83.79 2.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -88.21 172.59 7.5 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.192 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -72.93 46.64 1.12 Allowed 'Trans proline' 0 N--CA 1.504 2.113 0 C-N-CA 122.162 1.908 . . . . 1.0 111.747 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.49 148.89 47.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.112 -179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 48.5 Cg_endo . . . . . 0 C--N 1.303 -1.862 0 C-N-CA 122.11 1.873 . . . . 1.0 111.776 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.947 0.403 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -66.04 151.76 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.25 -44.04 95.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.33 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -44.6 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.372 0.606 . . . . 1.0 110.618 -179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.15 -46.4 88.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.704 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -42.94 97.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.482 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.37 -45.44 76.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.336 0.588 . . . . 1.0 109.799 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.548 ' O ' HG11 ' A' ' 13' ' ' VAL . 97.2 mt -63.95 -41.08 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.864 0.84 . . . . 1.0 109.8 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.95 -47.4 85.95 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.711 -0.796 . . . . 1.0 111.091 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.16 -43.89 97.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.328 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG11 ' O ' ' A' ' 10' ' ' ILE . 2.9 p -68.26 -37.59 78.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.334 -0.546 . . . . 1.0 110.553 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 13.8 m -57.33 -51.01 71.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.494 0.664 . . . . 1.0 109.423 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -62.48 -40.87 98.08 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.54 -0.864 . . . . 1.0 109.449 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -43.39 63.06 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 14' ' ' THR . 47.3 p -66.11 -39.45 89.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.425 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -40.84 96.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.901 -0.719 . . . . 1.0 110.126 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -64.76 -39.72 94.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.122 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' OE1' ' B' ' 176' ' ' GLU . 48.0 t0 -59.67 -40.46 87.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.682 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 23' ' ' LYS . 55.1 mttt -65.64 -39.66 91.69 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.782 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 10.02 1.28 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.582 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.0 mmtp 65.95 32.35 8.57 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.979 0.799 . . . . 1.0 110.457 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -104.09 69.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 1.0 109.865 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.6 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -57.39 -43.81 83.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.312 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.64 -53.22 60.78 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.497 -0.481 . . . . 1.0 111.698 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.0 -45.63 77.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.972 0.415 . . . . 1.0 110.133 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.18 82.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 25' ' ' TYR . 2.9 tt -61.08 -46.84 89.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 1.0 111.83 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.526 HH11 ' CD2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.96 -40.84 94.87 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 119.778 -0.769 . . . . 1.0 109.828 -179.451 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.526 ' CD2' HH11 ' A' ' 30' ' ' ARG . 81.6 mt -65.4 -40.21 93.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.858 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.64 -46.48 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.923 0.392 . . . . 1.0 110.563 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' NE2' ' CD2' ' A' ' 29' ' ' LEU . 87.3 mt-30 -63.69 -42.39 98.02 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.06 -51.77 62.5 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.353 0.597 . . . . 1.0 110.747 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.84 75.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.779 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.45 -43.55 86.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.033 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -54.0 -49.53 68.65 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -62.4 -38.97 91.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.884 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -60.75 -49.24 78.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.598 0.714 . . . . 1.0 110.684 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.668 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 66.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.611 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 17.9 t60 -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.231 -0.587 . . . . 1.0 110.736 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -67.01 -47.15 72.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.697 0.761 . . . . 1.0 112.597 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.4 pt -62.56 -34.43 64.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 C-N-CA 119.493 -0.883 . . . . 1.0 111.398 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.668 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 12.2 mtmt -84.03 -45.57 12.95 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 83.3 m-85 -93.75 -13.42 27.44 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.552 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ALA . 42.6 mm-40 -123.49 146.03 48.39 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -91.53 151.63 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.51 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 82.2 m-70 -161.78 -174.45 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.705 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 m -81.62 172.56 13.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.354 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.0 -49.22 59.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.423 ' CB ' ' HZ3' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -65.62 -25.1 67.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.448 0.642 . . . . 1.0 109.728 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -69.56 -49.76 51.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.163 -0.926 . . . . 1.0 109.721 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -47.81 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.633 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -60.42 -33.69 72.88 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.409 -0.516 . . . . 1.0 110.06 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.526 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.7 mm -68.1 -45.93 82.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-O 121.249 0.547 . . . . 1.0 110.523 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.25 -57.96 10.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.128 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.47 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 1.0 110.561 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.2 mmmm -62.27 -42.89 99.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.948 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -52.67 -39.85 62.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -64.8 -47.72 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.856 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -56.15 -46.6 79.21 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.957 0.408 . . . . 1.0 110.448 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 26.4 m-85 -63.19 -50.5 70.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.59 -47.74 84.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.712 -0.795 . . . . 1.0 110.431 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -52.34 -45.04 65.52 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.072 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -60.34 -44.41 95.54 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.785 -0.766 . . . . 1.0 109.43 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.63 80.53 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.9 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -54.68 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.318 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -61.44 -34.78 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.918 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.9 mt -59.68 -47.56 85.13 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.143 0.497 . . . . 1.0 109.996 -179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' N ' HD13 ' A' ' 29' ' ' LEU . 25.5 ttpt -69.42 -25.67 64.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.176 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.4 -55.61 14.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.656 0.613 . . . . 1.0 112.656 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -77.78 -30.45 51.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.157 -1.017 . . . . 1.0 109.867 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.7 mt -58.34 -48.32 80.93 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.83 -0.748 . . . . 1.0 109.821 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.114 179.248 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 3.8 mm . . . . . 0 CA--C 1.501 -0.906 0 CA-C-O 121.627 0.727 . . . . 1.0 110.158 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -132.72 117.29 17.65 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.325 -1.307 . . . . 1.0 110.777 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 13.3 mt -120.5 161.3 40.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.064 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -92.33 -177.49 0.85 Allowed 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.212 1.942 . . . . 1.0 111.719 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -122.85 137.94 54.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.063 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.99 137.51 92.23 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.745 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -71.12 145.41 49.31 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.8 1.667 . . . . 1.0 112.02 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 17.9 t -106.97 85.29 2.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 20' ' ' ASP . 19.2 mt-10 -86.77 168.51 18.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.714 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -89.02 49.32 1.32 Allowed 'Trans proline' 0 N--CA 1.502 1.997 0 C-N-CA 122.538 2.159 . . . . 1.0 110.965 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 34.0 mt -43.31 140.07 2.27 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 1.0 111.018 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.498 1.775 0 C-N-CA 121.51 1.473 . . . . 1.0 112.272 -179.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 121.312 0.577 . . . . 1.0 110.336 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p -70.75 161.91 30.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.411 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -61.12 -41.93 97.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.003 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -44.32 86.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.626 0.727 . . . . 1.0 111.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.694 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -64.08 -42.19 97.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.509 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.26 82.2 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.041 0.448 . . . . 1.0 110.035 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 HG21 HD13 ' A' ' 10' ' ' ILE . 95.0 mt -63.45 -42.18 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.326 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.73 -44.46 96.86 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.205 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -63.7 -44.72 92.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.762 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.412 HG22 ' CE1' ' A' ' 63' ' ' TYR . 8.3 p -69.97 -35.52 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.171 -0.612 . . . . 1.0 110.794 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.478 ' O ' ' OG1' ' A' ' 17' ' ' THR . 15.5 m -56.95 -50.62 72.05 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.982 0.896 . . . . 1.0 109.38 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -63.56 -40.26 96.53 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.539 -0.864 . . . . 1.0 109.283 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.47 64.59 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.178 -0.609 . . . . 1.0 111.035 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.478 ' OG1' ' O ' ' A' ' 14' ' ' THR . 42.8 p -65.72 -37.21 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.272 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -39.33 93.31 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.766 -0.773 . . . . 1.0 109.595 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 71.4 mm-40 -69.3 -42.44 75.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.427 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -56.36 -44.71 80.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.696 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.474 ' C ' ' H ' ' A' ' 23' ' ' LYS . 37.9 mtmt -67.34 -36.42 81.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.393 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 10.75 1.05 Allowed 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.325 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.7 mmtt 67.96 20.76 9.1 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.36 1.038 . . . . 1.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 2.1 m-20 -95.11 68.56 3.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.0 110.149 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.6 m-85 -56.88 -43.04 80.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.425 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.3 -53.06 61.6 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.136 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.1 tp10 -65.07 -45.78 83.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.224 1.011 . . . . 1.0 109.579 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.9 94.37 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 121.615 -0.678 . . . . 1.0 110.431 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.75 -50.14 75.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.569 0.581 . . . . 1.0 112.569 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 11.3 ptm180 -59.58 -40.62 87.98 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.646 -0.821 . . . . 1.0 109.883 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 87.6 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.28 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -60.02 -48.56 81.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.169 0.509 . . . . 1.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.37 -44.28 96.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.673 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -61.07 -49.57 76.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 1.0 110.558 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.3 73.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.8 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -56.97 -44.83 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.272 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -54.88 -48.83 72.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 1.0 110.412 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -63.15 -39.32 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.524 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.41 -49.8 75.42 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.217 0.532 . . . . 1.0 110.368 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.659 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 81.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.679 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.637 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 20.2 t-80 -64.97 -25.36 67.84 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.167 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -74.32 -48.69 26.66 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 112.095 0.406 . . . . 1.0 112.095 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.6 pt -60.66 -32.38 51.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.659 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 24.0 mttm -84.53 -44.19 13.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.657 0.984 . . . . 1.0 113.657 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 33.7 m-85 -84.92 -19.18 32.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.952 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 71.1 mm-40 -85.87 -118.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.908 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' O ' ' O ' ' A' ' 48' ' ' HIS . . . 164.75 33.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.205 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.472 ' O ' ' O ' ' A' ' 47' ' ' ALA . 95.4 m-70 -54.3 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 1.0 110.641 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.472 ' C ' ' HZ2' ' A' ' 53' ' ' LYS . 3.2 m -103.69 160.47 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 1.0 110.308 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 54' ' ' GLU . 15.1 m-20 -53.2 -39.24 63.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.873 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -64.09 -44.96 90.73 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.526 0.679 . . . . 1.0 110.353 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.49 -50.39 67.65 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.713 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' HZ2' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -49.37 -52.37 28.71 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.018 -0.673 . . . . 1.0 110.554 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -53.7 -39.02 64.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 -179.309 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -61.07 -43.89 98.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.794 -0.763 . . . . 1.0 110.283 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.499 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.7 mm -66.58 -45.1 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.027 0.442 . . . . 1.0 110.589 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -62.3 -37.79 86.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.906 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -68.06 -49.74 59.48 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 122.218 1.009 . . . . 1.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' B' ' 172' ' ' GLU . 23.6 mmmt -67.29 -36.32 81.29 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.483 -0.761 . . . . 1.0 110.451 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 19.4 m -55.43 -50.51 69.63 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.009 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.28 -29.73 48.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.693 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -69.14 -47.1 65.96 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.541 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.415 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.0 m-85 -61.98 -48.55 79.82 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 mt -59.69 -50.17 74.88 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 119.495 -0.882 . . . . 1.0 109.957 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.8 -46.81 42.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.762 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.677 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.9 73.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.469 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.43 -54.96 15.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.453 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -61.16 -36.94 81.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.138 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.8 mt -60.44 -49.65 76.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.522 0.677 . . . . 1.0 110.744 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -70.85 -21.95 62.37 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.159 -1.382 . . . . 1.0 111.156 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -69.12 -57.17 5.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 112.664 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.593 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.4 p90 -75.71 -29.29 58.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.811 -0.756 . . . . 1.0 109.81 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.41 -46.93 88.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.599 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.608 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 121.167 0.508 . . . . 1.0 110.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -132.22 115.89 16.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.42 -0.809 . . . . 1.0 109.57 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.5 mt -126.56 162.53 46.23 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.329 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -95.64 -177.44 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.082 1.855 . . . . 1.0 111.222 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 59' ' ' LYS . 47.4 tp10 -121.26 124.18 44.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.069 0.462 . . . . 1.0 109.982 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -53.89 135.73 56.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.622 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.25 135.68 23.05 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.929 1.752 . . . . 1.0 111.955 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 40.2 t -98.05 84.04 3.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.03 165.88 27.01 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.941 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -93.98 39.72 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.553 2.169 . . . . 1.0 111.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.01 146.12 81.99 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.974 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 39.9 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 C-N-CA 121.996 1.797 . . . . 1.0 112.259 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.523 -0.065 0 CA-C-O 120.892 0.377 . . . . 1.0 110.529 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.8 m -60.92 150.6 32.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.221 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -61.09 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.08 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -45.33 82.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.209 0.528 . . . . 1.0 110.802 -179.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -59.52 -43.8 93.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.542 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.27 -42.8 92.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.347 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -44.04 80.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.84 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' O ' HG13 ' A' ' 13' ' ' VAL . 96.8 mt -64.73 -41.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.929 0.871 . . . . 1.0 109.651 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -59.99 -46.29 89.96 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.338 -0.851 . . . . 1.0 110.547 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.14 -43.14 96.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.52 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.569 HG13 ' O ' ' A' ' 10' ' ' ILE . 2.7 p -66.9 -38.58 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.56 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.5 m -58.32 -48.7 79.7 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.534 0.683 . . . . 1.0 109.382 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -62.69 -42.14 99.48 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.337 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.2 65.46 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.103 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 48.5 p -65.85 -39.63 90.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.84 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.13 -41.37 97.23 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.774 -0.77 . . . . 1.0 110.164 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -65.04 -38.85 92.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.395 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -59.62 -39.42 84.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 23' ' ' LYS . 49.2 mttm -65.38 -41.33 93.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.833 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.46 10.55 1.0 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.6 mmtp 66.6 27.21 9.62 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.362 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.97 67.21 1.92 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.902 0.382 . . . . 1.0 110.224 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.616 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.19 -40.09 76.69 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.148 -0.221 . . . . 1.0 110.468 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.48 -52.54 64.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.719 0.295 . . . . 1.0 111.064 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.76 -46.28 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.889 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.63 80.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.27 -46.02 89.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 120.704 0.288 . . . . 1.0 111.049 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.38 -43.42 92.9 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.513 -0.875 . . . . 1.0 110.265 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 51.9 mt -66.6 -39.67 88.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.958 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -59.9 -49.11 78.98 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.866 0.365 . . . . 1.0 110.863 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.685 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -63.33 -50.75 68.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.596 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.07 73.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.4 t -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.924 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -53.98 -49.32 69.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.49 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.88 -37.97 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.006 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -60.61 -49.21 78.44 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.586 -0.445 . . . . 1.0 110.39 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 1.0 109.908 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.611 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t60 -67.55 -26.73 66.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.305 0.574 . . . . 1.0 110.458 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -72.69 -47.33 48.15 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.859 -0.526 . . . . 1.0 111.375 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.4 pt -67.25 -32.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -82.7 -47.73 11.68 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 13.0 m-85 -81.21 -25.68 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 1.0 112.272 -176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 58.7 mm-40 -84.07 -112.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.312 -0.555 . . . . 1.0 111.308 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . 159.13 63.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.085 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.92 -160.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.525 ' C ' ' HZ3' ' A' ' 53' ' ' LYS . 3.0 t -102.89 170.12 8.18 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.75 0.309 . . . . 1.0 110.222 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.93 -36.83 80.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.46 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -46.19 82.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.193 0.521 . . . . 1.0 110.227 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -61.49 -54.07 48.21 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.753 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.525 ' HZ3' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -50.17 -50.97 47.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.133 -179.102 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -53.37 -41.36 65.77 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.106 -0.638 . . . . 1.0 109.737 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -62.39 -43.51 98.66 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.861 -0.736 . . . . 1.0 110.748 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.0 mm -67.55 -45.67 84.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.701 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.58 -58.07 9.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.863 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.8 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.169 0.509 . . . . 1.0 110.207 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.749 ' HZ1' HE22 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.166 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -51.8 -37.03 50.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.09 -46.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.627 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.749 HE22 ' HZ1' ' A' ' 59' ' ' LYS . 67.2 mt-30 -54.13 -50.07 67.75 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.095 0.474 . . . . 1.0 110.58 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -63.05 -48.65 77.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mt -60.14 -47.59 85.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.556 -0.858 . . . . 1.0 110.408 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.86 -44.66 63.76 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.039 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -61.88 -43.56 98.6 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.765 -0.774 . . . . 1.0 109.365 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.57 81.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.384 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.66 -54.9 28.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.618 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' HZ1' ' CB ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -61.94 -36.52 81.64 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.197 -0.601 . . . . 1.0 110.279 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.1 mt -61.16 -48.87 79.6 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.189 0.518 . . . . 1.0 110.164 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -70.99 -23.86 62.28 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.428 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -66.54 -56.03 12.73 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 112.947 0.721 . . . . 1.0 112.947 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.616 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.9 p90 -77.79 -28.73 50.5 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 119.407 -0.917 . . . . 1.0 109.98 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.05 -48.93 79.66 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.78 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 . . . . . 0 C--N 1.319 -0.718 0 C-N-CA 119.954 -0.699 . . . . 1.0 110.166 179.621 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 110.0 -0.37 . . . . 1.0 110.0 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' B' ' 169' ' ' GLU . 58.0 mp0 -129.07 111.37 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.754 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 11.2 mt -100.39 162.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.948 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.25 163.98 8.4 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.064 1.843 . . . . 1.0 112.041 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -105.82 127.3 53.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.079 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -56.88 141.64 74.66 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.626 -179.035 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -70.9 150.82 61.89 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.353 2.035 . . . . 1.0 111.843 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 36.1 t -112.64 85.7 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -86.19 166.37 28.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -93.08 13.71 1.7 Allowed 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.504 2.136 . . . . 1.0 112.149 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 1.8 pp -54.25 142.78 47.51 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.442 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 N--CA 1.499 1.796 0 C-N-CA 121.581 1.521 . . . . 1.0 112.577 -179.58 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.6 m . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.233 0.54 . . . . 1.0 110.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m -74.99 151.42 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.06 -44.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.448 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -42.17 86.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.406 . . . . 1.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -56.61 -45.88 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.699 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.36 -39.52 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.48 -48.07 80.19 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.564 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.59 ' O ' HG13 ' A' ' 13' ' ' VAL . 92.0 mt -62.64 -41.12 90.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 121.76 0.79 . . . . 1.0 109.537 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -60.57 -43.12 97.65 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.632 -0.668 . . . . 1.0 110.53 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.675 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.76 -38.58 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.982 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.9 m -57.25 -49.87 74.69 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.6 ttpt -65.01 -41.02 95.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.55 -43.24 65.08 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.416 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 14' ' ' THR . 26.2 p -65.43 -38.6 90.36 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.927 0.394 . . . . 1.0 110.92 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.07 -39.18 89.86 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.142 -0.623 . . . . 1.0 110.568 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.87 -40.33 87.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.45 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 15.9 t70 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.861 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.452 ' C ' ' H ' ' A' ' 23' ' ' LYS . 52.9 mttt -65.1 -39.26 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.43 11.31 1.02 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.795 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.4 mmtt 66.93 26.93 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.59 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -97.61 67.26 2.03 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.426 0.632 . . . . 1.0 110.247 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -56.54 -43.94 80.36 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 122.072 -0.392 . . . . 1.0 110.59 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -59.95 -54.08 50.28 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.608 -0.437 . . . . 1.0 111.281 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 38.0 tt0 -65.32 -46.62 79.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.636 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.8 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.29 -47.51 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.27 0.357 . . . . 1.0 110.977 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.03 -42.96 86.43 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.627 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.0 mt -67.67 -39.07 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.611 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.73 -49.93 75.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.85 -42.94 99.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.696 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -62.21 -49.03 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.612 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.55 -45.72 77.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.786 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -58.01 -44.77 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.372 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.95 -47.08 78.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.467 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.81 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -61.67 -50.51 72.21 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.622 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.793 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 60.3 mt -62.36 -41.23 98.44 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.795 -0.638 . . . . 1.0 109.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 34.2 t-80 -66.53 -28.65 68.71 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 121.122 0.487 . . . . 1.0 111.215 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.572 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -70.69 -47.39 60.1 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.134 0.42 . . . . 1.0 112.134 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 pt -62.01 -30.65 49.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.793 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.6 mtpt -85.87 -44.93 12.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.664 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 32.7 m-85 -84.72 -22.04 29.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.617 -0.72 . . . . 1.0 112.368 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 40.3 mm-40 -92.52 -118.52 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.921 0.391 . . . . 1.0 110.513 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' CE ' ' A' ' 53' ' ' LYS . . . -165.03 -89.92 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.949 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 63.79 -179.25 0.16 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.231 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m -104.01 170.82 7.69 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.922 0.391 . . . . 1.0 110.637 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -60.21 -34.84 74.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.168 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -65.63 -43.66 88.84 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.234 0.54 . . . . 1.0 110.165 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . -65.8 -50.37 64.92 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.656 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.529 ' HZ1' ' CB ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.61 -49.99 55.16 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.146 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -54.33 -39.13 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.298 0.374 . . . . 1.0 110.032 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 52' ' ' ALA . 10.6 t -61.37 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.449 -0.501 . . . . 1.0 109.983 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 11.5 mm -67.85 -44.4 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.023 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -63.74 -38.22 90.29 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.002 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -69.07 -49.49 56.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.899 0.857 . . . . 1.0 110.718 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.3 mmmt -67.43 -36.7 81.76 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.77 -0.581 . . . . 1.0 110.7 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.8 m -55.35 -50.33 69.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.026 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.18 -29.59 47.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.793 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -69.72 -47.4 63.24 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.477 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.9 m-85 -60.88 -48.4 82.0 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.586 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.33 -50.72 72.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.085 -0.646 . . . . 1.0 109.967 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.785 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 32.7 t0 -46.42 -43.17 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' B' ' 174' ' ' PRO . 12.3 mmm180 -66.13 -45.8 79.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.411 0.624 . . . . 1.0 110.993 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.06 -41.47 92.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.724 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.785 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -62.31 -48.52 79.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.94 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.8 ptmm? -65.22 -36.52 84.42 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.082 0.468 . . . . 1.0 109.87 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 18.7 mt -61.96 -47.12 86.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -71.83 -22.04 61.6 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.238 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.03 -58.29 4.75 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.858 0.688 . . . . 1.0 112.858 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.0 p90 -75.48 -29.52 59.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.33 -49.88 75.82 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 . . . . . 0 C--N 1.332 -0.172 0 O-C-N 123.69 0.619 . . . . 1.0 110.073 178.896 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 1.5 mp . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -134.1 112.62 11.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 1.0 111.174 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' B' ' 170' ' ' LEU . 3.0 mm? -107.38 157.71 34.96 Favored Pre-proline 0 N--CA 1.454 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.03 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -95.73 -174.63 0.29 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.08 1.853 . . . . 1.0 111.003 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -117.17 142.63 46.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.139 0.495 . . . . 1.0 110.581 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.64 133.38 62.9 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . 0.505 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 58.7 Cg_endo -73.95 116.53 4.69 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.453 2.102 . . . . 1.0 111.965 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.7 p -94.33 84.2 4.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.077 0.465 . . . . 1.0 110.191 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.619 ' C ' ' H ' ' B' ' 178' ' ' LEU . 57.7 mt-10 -87.56 170.54 11.58 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.661 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -63.78 29.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.419 2.08 . . . . 1.0 111.913 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.619 ' H ' ' C ' ' B' ' 176' ' ' GLU . 23.5 mt -42.19 138.24 2.0 Allowed Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.621 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 C--N 1.307 -1.657 0 C-N-CA 122.165 1.91 . . . . 1.0 111.942 -179.422 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.143 0.497 . . . . 1.0 110.757 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -63.8 154.74 32.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.152 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -61.01 -45.91 92.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -45.16 77.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.108 0.48 . . . . 1.0 110.661 -179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -57.9 -45.14 86.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.405 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.642 ' HZ1' ' HH ' ' A' ' 38' ' ' TYR . 70.8 tttt -64.48 -42.51 95.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.36 82.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.846 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.567 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.59 -41.98 93.82 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-O 122.076 0.941 . . . . 1.0 109.725 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.36 -47.71 84.4 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.838 . . . . 1.0 110.743 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.3 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.489 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.6 p -67.66 -39.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 6.8 m -57.02 -51.46 69.16 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 121.331 0.586 . . . . 1.0 109.438 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -62.49 -41.0 98.49 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.749 -0.78 . . . . 1.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.95 63.06 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.943 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 62.2 p -66.82 -38.59 86.74 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.601 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.067 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -65.8 -40.57 92.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.07 -40.85 86.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 23' ' ' LYS . 24.0 mttt -65.95 -39.63 90.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.981 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 8.29 1.81 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.689 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' H ' ' C ' ' A' ' 21' ' ' LYS . 69.8 mmtt 68.86 26.11 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -97.83 69.67 2.12 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.347 0.594 . . . . 1.0 109.933 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CD2' ' OH ' ' A' ' 73' ' ' TYR . 3.0 m-85 -57.35 -43.13 83.22 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.87 -52.71 63.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 1.0 111.428 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.76 -45.8 81.18 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.451 -0.499 . . . . 1.0 110.16 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.53 81.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -60.39 -44.98 95.13 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.802 0.334 . . . . 1.0 111.374 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -60.04 -43.39 95.36 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.988 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.73 -39.37 87.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.042 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -59.87 -48.52 81.36 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.724 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.31 -41.39 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.934 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -64.51 -51.17 64.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.28 -46.3 72.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -58.5 -43.79 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.147 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.85 -49.84 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.574 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.642 ' HH ' ' HZ1' ' A' ' 8' ' ' LYS . 36.3 m-85 -63.27 -37.35 86.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.925 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.29 -49.15 78.73 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.619 -0.433 . . . . 1.0 110.399 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.11 -38.96 93.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.999 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 45' ' ' TYR . 60.0 t-80 -67.76 -29.1 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.484 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -71.27 -47.0 59.64 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 121.949 -0.469 . . . . 1.0 111.552 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.82 -32.67 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.284 -0.566 . . . . 1.0 112.514 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -82.26 -47.59 12.23 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 113.065 0.765 . . . . 1.0 113.065 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CE1' ' CD2' ' A' ' 41' ' ' HIS . 6.9 m-85 -79.82 -27.44 40.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.468 -0.787 . . . . 1.0 112.009 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' OE1' ' NE2' ' A' ' 48' ' ' HIS . 76.9 mt-10 -88.06 -110.25 0.07 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.939 -0.704 . . . . 1.0 111.363 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 46' ' ' GLU . . . 156.47 72.41 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.165 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 90.6 m-70 -86.09 -162.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 1.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -97.38 159.84 14.68 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.791 0.329 . . . . 1.0 110.211 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.68 -38.01 53.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.634 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' OG ' ' A' ' 55' ' ' SER . 73.4 mmtt -66.19 -44.53 83.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.434 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.33 -54.15 41.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.673 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -53.07 27.9 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.654 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -54.21 -39.92 67.16 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.52 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 51' ' ' LYS . 2.1 m -61.2 -43.81 98.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.14 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -67.85 -44.29 85.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-O 120.988 0.423 . . . . 1.0 110.546 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.7 -58.34 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.326 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.56 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.215 0.531 . . . . 1.0 110.518 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.568 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.4 mmmm -63.22 -42.77 99.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 m -52.38 -38.92 60.06 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.41 -48.02 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.421 -0.512 . . . . 1.0 109.807 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -55.63 -47.45 76.58 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.58 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 27.3 m-85 -62.11 -50.31 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.96 -47.48 85.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.792 -0.763 . . . . 1.0 110.128 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -51.31 -45.27 62.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.276 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -61.35 -44.39 97.25 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.753 -0.779 . . . . 1.0 109.427 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.21 80.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.276 -0.57 . . . . 1.0 110.684 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.29 -54.47 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -61.39 -35.48 77.64 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.887 -0.725 . . . . 1.0 109.851 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.51 -46.43 90.17 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.181 0.515 . . . . 1.0 109.892 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.474 ' N ' HD12 ' A' ' 29' ' ' LEU . 32.1 ttmt -71.04 -24.82 62.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.055 -0.975 . . . . 1.0 110.878 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.55 -56.4 12.5 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.71 0.634 . . . . 1.0 112.71 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CD2' ' A' ' 25' ' ' TYR . 13.7 p90 -77.62 -31.18 52.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 119.331 -0.947 . . . . 1.0 110.565 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.13 -49.02 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.1 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.408 179.251 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.188 0.518 . . . . 1.0 109.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' B' ' 169' ' ' GLU . 52.5 mp0 -120.76 124.74 45.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.21 -0.905 . . . . 1.0 109.3 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 mt -123.61 163.57 33.86 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.999 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -89.39 171.13 4.51 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.894 1.729 . . . . 1.0 111.755 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -111.39 133.11 53.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.764 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.31 141.25 96.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.911 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.86 154.45 53.55 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.972 1.781 . . . . 1.0 111.59 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -115.81 86.04 2.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' B' ' 176' ' ' GLU . 41.1 mp0 -85.46 162.5 48.05 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -93.23 55.91 0.43 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 121.954 1.769 . . . . 1.0 111.687 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.495 ' H ' ' CD1' ' B' ' 178' ' ' LEU . 0.0 OUTLIER -80.8 172.73 9.08 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.735 -178.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 178' ' ' LEU . 24.4 Cg_exo . . . . . 0 N--CA 1.496 1.672 0 C-N-CA 121.68 1.587 . . . . 1.0 111.042 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.88 0.371 . . . . 1.0 110.7 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 162.58 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.998 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -60.5 -46.77 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.33 -41.91 84.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.361 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.247 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.19 92.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.066 -0.653 . . . . 1.0 110.081 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.544 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.5 mt -65.0 -41.59 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.906 0.86 . . . . 1.0 110.121 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.39 -44.35 97.3 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.426 -0.796 . . . . 1.0 110.547 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 38' ' ' TYR . 49.8 mt -64.75 -43.42 93.39 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.627 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.3 p -68.24 -36.86 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' A' ' 17' ' ' THR . 95.4 m -58.92 -47.9 83.39 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.409 0.623 . . . . 1.0 109.495 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -64.1 -42.38 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.184 -0.606 . . . . 1.0 109.59 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.23 -42.69 63.81 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.953 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 14' ' ' THR . 42.3 p -66.92 -37.24 83.98 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.588 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.87 -41.05 92.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.904 -0.719 . . . . 1.0 110.057 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -40.25 87.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.005 0.431 . . . . 1.0 110.713 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.45 -41.63 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.494 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.68 -39.37 91.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.122 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 10.89 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' H ' ' C ' ' A' ' 21' ' ' LYS . 27.3 mmtp 67.14 22.09 9.91 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.036 0.835 . . . . 1.0 110.562 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.89 66.87 3.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.19 0.519 . . . . 1.0 110.245 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.7 m-85 -56.73 -40.91 76.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.508 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -60.62 -52.57 64.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.31 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -66.38 -46.67 75.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.77 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.67 -47.14 85.5 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.717 0.294 . . . . 1.0 110.833 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.616 -0.834 . . . . 1.0 110.289 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.5 mt -66.05 -40.02 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -59.61 -49.84 76.2 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.871 0.367 . . . . 1.0 110.907 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.92 -43.57 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.626 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -62.46 -51.55 67.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.632 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.06 68.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.694 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.7 t -58.25 -43.96 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.458 -0.497 . . . . 1.0 110.012 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -53.68 -49.63 67.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.606 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 57.1 m-85 -62.98 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.941 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -60.92 -50.69 72.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.55 . . . . 1.0 110.176 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.736 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 69.6 mt -62.72 -42.8 99.84 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.097 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.627 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -64.63 -28.52 69.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.146 0.498 . . . . 1.0 111.264 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.563 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -70.33 -47.84 59.21 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 8.0 pt -62.79 -31.93 54.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 112.183 0.438 . . . . 1.0 112.183 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.736 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.0 mtpt -83.71 -44.05 14.88 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.9 0.704 . . . . 1.0 112.9 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 38.3 m-85 -85.89 -18.8 31.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.486 -177.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.563 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -87.19 -120.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.173 -0.611 . . . . 1.0 111.245 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.443 ' O ' ' O ' ' A' ' 48' ' ' HIS . . . 164.33 32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 1.0 109.975 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ALA . 97.9 m-70 -54.78 -162.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.5 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.0 m -102.13 159.67 15.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.867 0.365 . . . . 1.0 110.71 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -49.56 -38.65 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.547 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 31.4 mtmm -63.4 -40.19 96.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.84 0.829 . . . . 1.0 109.782 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.42 -56.29 13.31 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.387 -0.925 . . . . 1.0 110.09 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.9 mptp? -48.38 -56.37 8.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.516 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 7.8 pt-20 -52.47 -41.55 63.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.152 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 34.9 t -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.032 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.4 mm -66.83 -44.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.447 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.13 -58.41 8.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.54 -51.54 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.101 0.477 . . . . 1.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.551 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 19.1 mmmt -62.24 -41.98 98.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.588 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.45 -40.27 62.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.41 -48.4 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.101 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -54.22 -47.43 72.17 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.365 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.66 -49.23 75.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.367 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.9 -48.75 80.42 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.568 -0.853 . . . . 1.0 110.255 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -50.34 -44.76 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 1.0 110.101 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -61.84 -44.32 97.07 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.932 -0.707 . . . . 1.0 109.375 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.76 75.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.78 -54.92 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.32 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.082 -0.647 . . . . 1.0 110.382 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 mt -61.1 -49.08 78.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.19 0.519 . . . . 1.0 110.007 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -71.26 -22.22 62.0 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.189 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -68.14 -57.09 6.62 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.581 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.6 p90 -77.25 -29.01 53.81 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.693 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -61.49 -48.2 82.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.656 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.14 179.35 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.99 105.34 12.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.829 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.82 160.6 29.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.795 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.551 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 44.3 Cg_endo -88.76 162.39 6.26 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.07 1.847 . . . . 1.0 111.978 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -107.57 134.86 49.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.094 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -58.77 139.41 86.43 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.817 -178.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.82 153.76 53.49 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.816 1.677 . . . . 1.0 112.114 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.2 m -105.31 85.53 2.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.759 -0.459 . . . . 1.0 109.759 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.82 166.56 28.85 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.416 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -87.27 47.43 1.53 Allowed 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.393 2.062 . . . . 1.0 111.577 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 179' ' ' PRO . 17.4 mt -44.02 155.57 0.34 Allowed Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.72 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 178' ' ' LEU . 19.4 Cg_exo . . . . . 0 N--CA 1.498 1.769 0 C-N-CA 121.218 1.279 . . . . 1.0 112.532 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.43 0.157 . . . . 1.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 m -59.83 148.05 36.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.391 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 m -62.12 -45.7 92.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.498 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.66 -42.18 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.716 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -57.72 -42.27 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.593 . . . . 1.0 109.598 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -64.41 -41.12 96.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.62 89.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.026 0.441 . . . . 1.0 110.431 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.694 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.1 mt -66.35 -43.53 91.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 121.881 0.848 . . . . 1.0 109.724 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -58.18 -48.36 80.55 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.639 -0.663 . . . . 1.0 110.216 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.65 -43.02 97.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.619 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -65.75 -40.47 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.757 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.53 ' O ' ' OG1' ' A' ' 17' ' ' THR . 55.5 m -57.49 -50.61 72.5 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 tppt? -59.99 -41.5 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.4 -45.07 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.784 0.326 . . . . 1.0 110.647 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.5 p -63.24 -41.94 99.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.131 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.3 pt-20 -62.96 -39.45 94.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.542 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.61 -39.56 88.4 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 27.7 t0 -60.06 -38.02 81.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.836 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.4 mttt -66.42 -40.15 89.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.901 178.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 8.73 2.68 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.534 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 68.13 29.45 6.21 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.553 0.533 . . . . 1.0 110.592 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -99.92 69.61 1.56 Allowed 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.4 0.619 . . . . 1.0 110.009 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.31 -40.6 78.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.765 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.35 -54.11 48.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.798 0.332 . . . . 1.0 110.953 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.03 -45.42 85.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.84 89.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.294 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.958 -0.297 . . . . 1.0 111.148 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -60.95 -41.85 97.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.666 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.0 mt -68.35 -39.25 81.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.534 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -59.52 -49.2 78.71 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.892 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.03 -40.34 97.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -65.36 -50.2 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.533 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.2 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.459 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.4 t -57.49 -43.07 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.639 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -54.8 -50.11 69.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.857 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -64.09 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.52 -49.44 77.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.571 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.94 -36.07 82.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.293 0.568 . . . . 1.0 110.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.642 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 59.2 t-80 -70.95 -26.55 63.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.644 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.552 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -71.13 -47.81 55.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.327 0.584 . . . . 1.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 pt -68.29 -32.24 54.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -81.27 -51.24 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.657 0.614 . . . . 1.0 112.657 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 11.4 m-85 -84.45 -14.12 50.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.404 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.552 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 19.3 mm-40 -122.72 164.4 18.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.686 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.552 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -108.64 150.07 28.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.802 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 91.2 m-70 -161.04 -177.66 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.0 m -79.28 175.02 10.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 23.6 p-10 -68.64 -55.49 11.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.495 ' O ' ' OG ' ' A' ' 55' ' ' SER . 23.0 mtmm -56.72 -27.76 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -68.08 -55.18 13.44 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -48.02 78.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.474 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -57.0 -36.11 70.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.272 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.495 ' OG ' ' O ' ' A' ' 51' ' ' LYS . 20.2 m -64.52 -42.59 95.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.028 0.442 . . . . 1.0 110.262 179.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.3 mm -68.26 -46.38 81.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.291 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -60.32 -58.87 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.212 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.79 61.07 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.081 0.467 . . . . 1.0 110.586 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 16.3 mmmt -62.38 -42.64 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.178 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 m -52.86 -40.42 63.41 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.98 -47.81 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -55.99 -46.87 78.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -62.84 -50.71 69.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.135 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mt -59.54 -48.7 80.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.773 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.21 -46.52 62.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.624 ' NE ' ' HZ1' ' A' ' 69' ' ' LYS . 12.3 mmm180 -59.72 -45.23 92.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.079 0.466 . . . . 1.0 110.168 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.75 90.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.281 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.84 -55.03 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.073 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.624 ' HZ1' ' NE ' ' A' ' 66' ' ' ARG . 5.5 pttm -61.67 -37.27 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.515 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 18.1 mt -59.15 -49.26 78.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -72.64 -23.16 60.87 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.335 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.72 -56.8 10.14 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.2 p90 -78.21 -28.43 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.686 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.74 -49.39 77.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-O 121.033 0.444 . . . . 1.0 110.208 178.624 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . 0.4 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 97.2 mt . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 120.959 0.409 . . . . 1.0 110.343 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -130.9 113.82 14.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.509 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.21 160.98 25.0 Favored Pre-proline 0 C--O 1.233 0.194 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.983 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . 0.538 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 44.2 Cg_endo -91.77 158.59 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.328 2.019 . . . . 1.0 112.09 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.29 129.13 53.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.388 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.29 136.35 30.63 Favored Pre-proline 0 N--CA 1.451 -0.403 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.912 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.68 154.65 54.5 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.269 1.979 . . . . 1.0 112.713 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 74.5 m -110.79 84.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.542 ' C ' ' H ' ' B' ' 178' ' ' LEU . 37.4 mm-40 -86.46 167.88 21.11 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.833 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -65.3 37.88 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.513 2.142 . . . . 1.0 111.761 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.542 ' H ' ' C ' ' B' ' 176' ' ' GLU . 28.3 mt -42.58 140.19 1.81 Allowed Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.269 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 C--N 1.306 -1.682 0 C-N-CA 122.313 2.008 . . . . 1.0 112.692 -179.033 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 1.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.1 t -65.58 156.33 33.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.39 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 1.0 109.984 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -43.93 88.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.192 0.52 . . . . 1.0 110.79 -179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -61.02 -45.14 95.99 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.572 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.414 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.73 -43.95 81.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.843 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 10' ' ' ILE . 97.0 mt -62.85 -41.85 94.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.295 179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -61.51 -46.07 91.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.329 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.94 -44.92 94.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.431 -0.349 . . . . 1.0 111.423 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.409 HG21 ' CE1' ' A' ' 63' ' ' TYR . 9.3 p -69.92 -34.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.45 ' O ' ' OG1' ' A' ' 17' ' ' THR . 51.6 m -58.16 -49.95 75.2 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.616 0.722 . . . . 1.0 109.198 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -40.62 98.18 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.722 -0.791 . . . . 1.0 109.395 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.1 65.62 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 14' ' ' THR . 42.9 p -66.11 -37.46 85.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.519 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -41.18 93.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.655 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.0 -41.28 91.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.649 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.6 -41.49 85.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.64 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.6 mttt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.232 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 13.63 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.619 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 21' ' ' LYS . 71.6 mmtt 64.62 30.27 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.333 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -104.05 69.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.288 0.566 . . . . 1.0 109.63 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.2 m-85 -56.83 -45.17 82.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.554 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.7 -53.68 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.572 -0.451 . . . . 1.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 40.0 tt0 -63.21 -45.26 92.52 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.241 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.27 81.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.456 HD13 ' N ' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -59.91 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.692 0.282 . . . . 1.0 110.973 -179.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -59.08 -44.33 91.88 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.552 -0.859 . . . . 1.0 109.848 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.1 -40.82 95.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.61 -48.32 82.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.909 0.385 . . . . 1.0 111.118 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -63.34 -44.14 95.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.892 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -60.81 -49.38 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.584 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.18 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -57.6 -44.45 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.095 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -54.77 -49.33 71.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.319 -0.553 . . . . 1.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.91 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.959 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -61.24 -49.92 75.15 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.275 0.559 . . . . 1.0 110.939 -179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 77.1 mt -63.51 -41.11 98.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.623 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 21.9 t60 -62.6 -37.17 85.22 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.376 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.2 -46.43 80.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.91 -34.75 70.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 C-N-CA 119.52 -0.872 . . . . 1.0 111.372 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 55.7 mttm -83.93 -46.79 11.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 63.2 m-85 -91.54 -18.49 24.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.762 -0.654 . . . . 1.0 112.032 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 73.4 mm-40 -118.17 130.37 56.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.203 0.525 . . . . 1.0 109.596 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.26 144.13 44.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.614 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.517 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 29.3 m-70 -155.61 -169.25 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.572 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.0 m -95.54 143.2 27.05 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.827 0.346 . . . . 1.0 110.577 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -45.4 -38.74 6.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.033 0.444 . . . . 1.0 110.41 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -63.21 -38.88 92.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -62.02 -54.95 34.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.162 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' NZ ' ' HB2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -48.72 -53.39 19.08 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 120.437 -0.505 . . . . 1.0 109.905 -178.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -41.98 63.53 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.646 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.1 t -62.4 -43.73 98.12 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.582 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.466 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 12.4 mm -67.86 -44.59 85.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.612 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.76 -40.34 94.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.791 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.406 ' O ' ' CG1' ' A' ' 61' ' ' VAL . . . -67.35 -49.92 62.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.842 0.829 . . . . 1.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -66.7 -36.23 82.0 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.11 -0.636 . . . . 1.0 110.396 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.9 m -55.9 -50.86 69.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.237 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.06 -29.74 48.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.689 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -69.73 -45.69 67.61 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.294 -0.562 . . . . 1.0 110.849 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.409 ' CE1' HG21 ' A' ' 13' ' ' VAL . 23.1 m-85 -62.22 -48.72 78.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.549 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.75 -49.5 77.24 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.913 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -50.26 -44.98 53.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.171 -0.611 . . . . 1.0 110.063 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.586 ' NH1' ' HZ1' ' A' ' 69' ' ' LYS . 20.7 mmm180 -61.66 -45.22 94.98 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 119.884 -0.727 . . . . 1.0 109.915 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.68 72.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.962 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.56 -54.83 14.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.676 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.586 ' HZ1' ' NH1' ' A' ' 66' ' ' ARG . 18.3 ptmt -60.97 -35.64 77.32 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.836 -0.746 . . . . 1.0 109.866 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 mt -59.97 -47.48 85.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.098 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' N ' HD13 ' A' ' 29' ' ' LEU . 26.4 ttpt -71.13 -22.86 62.01 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.058 -0.974 . . . . 1.0 111.449 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.27 -56.65 7.9 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 112.823 0.675 . . . . 1.0 112.823 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.599 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 8.0 p90 -76.37 -30.29 57.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.56 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.0 mt -58.67 -48.13 82.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 . . . . . 0 N--CA 1.446 -0.672 0 C-N-CA 120.635 -0.426 . . . . 1.0 109.906 179.21 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 110.133 -0.321 . . . . 1.0 110.133 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -120.2 103.68 9.45 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.932 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.8 mt -94.64 162.29 26.13 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.229 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.24 161.86 8.46 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.864 1.71 . . . . 1.0 112.052 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -107.32 125.01 50.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.96 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.07 136.83 57.69 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.024 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -73.18 155.44 51.89 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.178 1.919 . . . . 1.0 111.6 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 33.0 p -130.93 85.26 2.26 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . 0.423 ' C ' ' H ' ' B' ' 178' ' ' LEU . 60.9 mt-10 -86.42 171.86 9.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.448 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -70.62 43.58 0.45 Allowed 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 122.002 1.801 . . . . 1.0 111.637 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' B' ' 176' ' ' GLU . 0.4 OUTLIER -96.82 148.85 35.03 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.023 -179.065 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 N--CA 1.497 1.692 0 C-N-CA 121.983 1.788 . . . . 1.0 112.097 -179.29 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.819 0.342 . . . . 1.0 110.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 m -56.8 154.85 8.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -61.22 -48.17 82.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 1.0 110.368 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.64 -41.93 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.799 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -57.03 -44.94 83.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.7 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -63.5 -39.18 93.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.47 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.02 92.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.259 -178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG13 ' A' ' 13' ' ' VAL . 89.5 mt -65.96 -41.19 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.973 0.892 . . . . 1.0 109.982 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.81 -45.88 92.71 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.278 -0.889 . . . . 1.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.63 -43.11 94.77 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.24 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -66.78 -39.56 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.845 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.1 m -58.52 -47.95 82.47 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.565 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -63.13 -38.25 90.43 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 119.321 -0.951 . . . . 1.0 109.079 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' N ' HD22 ' A' ' 31' ' ' LEU . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 14' ' ' THR . 82.0 p -63.79 -38.86 92.66 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.176 -0.61 . . . . 1.0 110.795 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -39.75 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.456 -0.898 . . . . 1.0 110.17 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 1.0 110.671 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.11 -42.34 76.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 23' ' ' LYS . 20.9 mttt -65.25 -39.87 93.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.681 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.12 11.73 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.793 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 21' ' ' LYS . 42.6 mmtm 65.07 26.93 12.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.205 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.22 66.96 1.83 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.19 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.9 m-85 -55.91 -40.91 73.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.583 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -61.51 -53.23 59.06 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.549 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.35 -46.9 78.37 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.24 -0.584 . . . . 1.0 109.864 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.82 -44.72 78.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.202 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 tp -58.32 -46.51 86.04 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -57.17 -47.74 80.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.573 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 16' ' ' ALA . 3.3 mp -62.97 -39.52 94.95 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.618 0.246 . . . . 1.0 111.503 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -60.31 -50.17 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.802 -0.759 . . . . 1.0 110.682 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.86 -42.99 99.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.569 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -63.31 -50.69 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -50.16 57.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -57.43 -44.15 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.426 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.972 0.415 . . . . 1.0 110.691 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.09 -38.42 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -61.11 -47.61 85.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.04 0.448 . . . . 1.0 110.267 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.428 0.632 . . . . 1.0 109.658 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 34.3 t-80 -69.42 -22.8 63.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.097 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -74.88 -47.46 29.94 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.334 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 13.3 pt -66.1 -31.84 55.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 120.136 -0.626 . . . . 1.0 111.705 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.54 -47.21 14.55 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 112.777 0.658 . . . . 1.0 112.777 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.614 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 47.4 m-85 -94.95 -16.09 23.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.91 -177.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.551 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 41.7 mm-40 -124.31 36.23 4.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 121.254 -0.178 . . . . 1.0 110.622 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -20.47 129.63 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.974 0.796 . . . . 1.0 110.686 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.838 ' H ' ' HZ3' ' A' ' 53' ' ' LYS . 28.3 m-70 -122.49 -143.71 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.089 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.4 m -94.91 150.67 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.85 -40.31 28.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.481 . . . . 1.0 110.541 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.0 -41.58 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.656 -0.702 . . . . 1.0 109.931 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.42 -54.91 33.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.289 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.838 ' HZ3' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.08 -52.29 26.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.261 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -52.62 -42.04 64.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.798 -0.761 . . . . 1.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 t -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.894 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 10.5 mm -66.45 -45.2 89.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 120.731 -0.387 . . . . 1.0 110.647 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.88 -58.26 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.054 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.61 -52.9 35.15 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -62.42 -40.53 96.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 16.6 m -52.82 -40.46 63.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.78 -48.31 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.286 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -53.91 -46.52 71.47 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.333 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -63.13 -48.51 78.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.476 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 mt -60.09 -49.15 78.79 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.461 -0.896 . . . . 1.0 110.328 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -50.67 -45.12 57.91 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.196 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.48 -43.89 98.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 119.784 -0.767 . . . . 1.0 109.549 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.95 78.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.635 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.23 -54.78 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.561 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' HZ2' ' CB ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -61.23 -36.6 80.39 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.953 -179.388 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.25 -48.94 79.14 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.351 0.596 . . . . 1.0 110.138 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.895 -1.048 . . . . 1.0 111.505 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.91 -56.33 9.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.857 0.688 . . . . 1.0 112.857 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.2 p90 -77.86 -27.91 49.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 118.876 -1.129 . . . . 1.0 109.46 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.5 mt -60.59 -49.43 77.55 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.266 -0.974 . . . . 1.0 109.681 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 . . . . . 0 N--CA 1.447 -0.614 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.425 179.803 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 121.404 0.621 . . . . 1.0 110.245 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -134.3 113.95 12.49 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.414 -0.812 . . . . 1.0 109.903 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -108.32 153.67 41.83 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.388 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -92.3 179.17 1.36 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.548 1.498 . . . . 1.0 111.397 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.81 130.59 56.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.991 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -65.25 137.57 96.88 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.794 -179.237 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -72.85 150.53 49.7 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.869 1.712 . . . . 1.0 112.112 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 19.9 p -116.43 84.47 2.13 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.143 0.497 . . . . 1.0 109.993 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.14 169.99 12.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.623 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -87.31 84.32 0.9 Allowed 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.98 1.786 . . . . 1.0 110.841 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 179' ' ' PRO . 25.6 mt -73.0 140.66 80.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.7 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 178' ' ' LEU . 89.2 Cg_exo . . . . . 0 N--CA 1.497 1.697 0 C-N-CA 121.952 1.768 . . . . 1.0 112.601 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.933 0.396 . . . . 1.0 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -74.75 151.32 39.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.068 0.461 . . . . 1.0 110.499 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.254 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.15 -43.76 94.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.781 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' O ' ' NE2' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -55.07 -46.63 75.43 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.236 -0.654 . . . . 1.0 109.236 179.764 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -59.45 -40.66 87.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.949 -0.76 . . . . 1.0 108.949 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -50.5 72.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.357 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.63 ' O ' HG13 ' A' ' 13' ' ' VAL . 92.8 mt -64.61 -42.78 96.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 121.874 0.845 . . . . 1.0 109.723 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.66 -47.42 85.68 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.167 -0.958 . . . . 1.0 110.438 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.11 -42.92 96.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.268 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.63 HG13 ' O ' ' A' ' 10' ' ' ILE . 1.5 p -64.08 -38.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.385 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 17' ' ' THR . 71.2 m -58.84 -45.37 90.2 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.029 -0.73 . . . . 1.0 109.029 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -42.07 98.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.182 -0.673 . . . . 1.0 109.182 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.34 -45.39 65.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.757 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 14' ' ' THR . 81.9 p -63.69 -40.41 96.73 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.899 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.89 -41.41 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.927 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 69.6 mm-40 -67.69 -41.28 83.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.023 0.44 . . . . 1.0 110.489 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.87 -41.16 86.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.882 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.84 -39.97 91.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.707 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 5.84 3.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.649 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.6 mmtt 70.25 26.87 4.25 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.938 0.774 . . . . 1.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.549 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -96.65 69.0 2.49 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.206 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.2 m-85 -56.89 -40.81 76.91 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.235 -0.291 . . . . 1.0 110.562 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.61 -53.82 51.16 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.13 0.49 . . . . 1.0 110.814 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 4.5 tp10 -65.26 -50.25 66.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.057 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.68 51.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.168 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 67' ' ' ALA . 11.0 tp -59.96 -43.03 95.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.719 0.295 . . . . 1.0 110.488 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 96.1 mtt180 -58.54 -46.03 87.66 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.624 -0.831 . . . . 1.0 110.58 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 27' ' ' GLU . 3.2 mm? -66.13 -39.28 89.75 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.665 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.54 -50.36 73.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.543 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.99 -41.35 99.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.538 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 30' ' ' ARG . 19.7 m80 -64.45 -51.6 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.82 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.01 -50.09 62.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.633 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.55 -44.0 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.487 -178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.16 -49.86 68.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.74 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.87 -37.88 89.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.104 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -61.58 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.012 0.434 . . . . 1.0 110.673 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.59 -38.89 91.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.45 0.643 . . . . 1.0 109.782 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.627 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 t60 -65.61 -35.72 81.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.265 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.486 0.66 . . . . 1.0 111.835 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 pt -65.28 -34.33 69.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 119.549 -0.86 . . . . 1.0 111.509 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -82.16 -47.53 12.41 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.636 0.606 . . . . 1.0 112.636 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 38.6 m-85 -90.41 -17.07 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.956 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 88.8 mt-10 -121.97 136.94 54.96 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -85.5 144.53 27.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.581 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 91.4 m-70 -160.12 156.86 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.63 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -58.18 155.82 10.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.39 . . . . 1.0 110.466 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -57.53 -30.08 64.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.53 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -68.05 -41.52 81.91 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.951 0.881 . . . . 1.0 109.928 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -68.9 -45.15 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.612 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' NZ ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -58.52 -55.02 40.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.377 . . . . 1.0 111.721 -178.709 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.78 -36.35 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.132 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.081 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 52' ' ' ALA . 15.5 mm -65.09 -47.25 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.394 -0.522 . . . . 1.0 111.002 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -56.42 -57.24 13.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.169 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.69 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.704 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -59.88 -42.94 94.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.845 -179.128 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.86 -41.31 64.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.46 -0.791 . . . . 1.0 109.559 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.49 -49.17 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.929 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.27 -46.54 76.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.483 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.406 ' CE2' ' HG3' ' A' ' 59' ' ' LYS . 27.7 m-85 -63.13 -50.46 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.7 mt -59.91 -47.56 85.26 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.535 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -52.21 -47.2 65.74 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.421 -0.511 . . . . 1.0 110.268 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.86 -44.44 94.13 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.75 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 29' ' ' LEU . . . -62.43 -38.88 91.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.545 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.62 -54.59 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.425 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -60.97 -34.76 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.039 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.97 -47.72 85.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.2 0.524 . . . . 1.0 110.119 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -69.5 -26.52 64.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.597 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.66 -55.91 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.874 0.694 . . . . 1.0 112.874 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.1 p90 -77.9 -30.45 50.68 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.437 -0.905 . . . . 1.0 110.448 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.79 -49.92 75.83 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 179.434 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 13.0 mt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.924 0.392 . . . . 1.0 110.059 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.94 102.05 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.949 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.27 164.98 30.93 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.815 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -89.06 168.71 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.099 1.866 . . . . 1.0 111.808 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -101.02 147.88 25.69 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.525 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.91 135.85 44.92 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.92 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 174' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -72.41 153.45 55.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.953 1.769 . . . . 1.0 111.943 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 85.86 2.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.789 -0.449 . . . . 1.0 109.789 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -86.19 165.63 32.85 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.923 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -72.61 68.76 3.62 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.837 1.692 . . . . 1.0 111.829 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 178' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' B' ' 179' ' ' PRO . 0.3 OUTLIER -122.24 147.67 50.14 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 110.075 -0.342 . . . . 1.0 110.075 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 179' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' B' ' 178' ' ' LEU . 74.9 Cg_exo . . . . . 0 N--CA 1.493 1.459 0 C-N-CA 122.294 1.996 . . . . 1.0 112.501 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.987 0.422 . . . . 1.0 110.413 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -61.65 -43.87 98.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.206 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.51 -43.0 95.45 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.44 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.23 -43.62 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -63.12 -41.55 99.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.8 -47.94 79.08 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.327 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 13' ' ' VAL . 85.6 mt -63.84 -42.43 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.052 0.929 . . . . 1.0 109.712 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -58.88 -48.54 81.05 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.325 -0.859 . . . . 1.0 110.575 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.97 -42.5 97.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.454 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -66.84 -40.13 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 1.0 110.609 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 m -56.56 -51.75 67.4 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 1.0 109.102 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.8 ttpt -61.01 -41.58 96.83 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.188 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.6 -43.9 62.65 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 ' HD3' ' B' ' 174' ' ' PRO . 63.3 p -64.86 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.653 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -63.39 -38.91 92.98 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.024 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.76 -40.62 84.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.85 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 41.5 t0 -58.86 -41.33 86.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.723 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 23' ' ' LYS . 23.2 mttt -66.29 -39.44 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.18 8.3 1.73 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.489 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.0 mmtt 68.33 29.35 5.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.14 69.38 1.15 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.759 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.54 -40.04 77.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.432 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -54.16 44.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.991 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -63.88 -45.14 90.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.418 -0.513 . . . . 1.0 109.782 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.49 90.97 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.218 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.79 -45.73 91.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.325 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 30' ' ' ARG . 36.1 mtp-105 -60.25 -43.58 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.682 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 67.8 mt -67.33 -38.89 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.614 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.26 -47.75 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 1.0 110.604 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.45 -40.27 96.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.361 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.603 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.27 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.242 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.9 t -57.13 -43.33 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.633 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -54.91 -49.13 72.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.989 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.45 -38.69 91.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.648 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -60.89 -48.49 81.56 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.128 0.49 . . . . 1.0 110.593 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.39 -37.85 88.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.496 0.665 . . . . 1.0 110.065 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -67.61 -31.15 70.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.572 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.25 -47.11 68.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.722 0.772 . . . . 1.0 111.683 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 10.1 pt -66.16 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.995 -0.682 . . . . 1.0 111.804 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 112.795 0.665 . . . . 1.0 112.795 -179.765 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.7 mptp? -53.84 -49.9 67.4 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.473 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.02 -39.21 68.87 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -62.23 -44.4 96.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.324 -0.551 . . . . 1.0 110.004 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -67.61 -45.06 85.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.293 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.46 -36.68 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.857 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.31 -50.68 36.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.058 0.932 . . . . 1.0 110.766 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -66.82 -36.46 82.42 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.787 -0.571 . . . . 1.0 110.335 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.3 m -56.48 -50.78 70.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.214 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -63.34 -28.99 46.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.663 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -71.09 -46.36 61.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.509 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.7 m-85 -62.82 -48.17 80.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.585 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.4 mt -60.35 -49.83 76.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.06 -0.656 . . . . 1.0 110.445 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.73 -45.78 49.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.536 -0.466 . . . . 1.0 109.852 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HG3' HG11 ' B' ' 173' ' ' VAL . 18.9 mmm180 -61.25 -44.06 97.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.422 0.629 . . . . 1.0 109.627 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.77 81.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.205 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.33 -55.59 23.34 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.333 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.26 -37.1 81.92 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.45 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.4 mt -60.1 -47.97 83.66 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.417 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -72.65 -22.81 60.88 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.193 -0.912 . . . . 1.0 110.7 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.81 -56.66 9.44 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.673 0.619 . . . . 1.0 112.673 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.7 p90 -76.72 -29.28 56.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.297 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.7 mt . . . . . 0 C--N 1.33 -0.281 0 C-N-CA 120.21 -0.596 . . . . 1.0 109.441 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 N--CA 1.496 1.662 0 CA-C-O 120.889 0.287 . . . . 1.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -115.32 126.32 54.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.291 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.472 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.34 143.12 19.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.772 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.467 ' HD3' HG22 ' A' ' 17' ' ' THR . 59.6 Cg_endo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 122.121 1.881 . . . . 1.0 111.808 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.424 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.86 -40.73 94.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.106 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.23 -45.52 84.33 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.076 0.465 . . . . 1.0 110.743 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -58.73 -43.4 90.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.359 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -64.25 -44.26 92.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.657 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.26 -46.6 79.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.238 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.98 -42.65 96.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-O 121.927 0.87 . . . . 1.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.24 -47.92 82.02 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 121.567 -0.708 . . . . 1.0 110.682 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.46 -44.08 95.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.34 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.4 p -67.09 -39.51 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.777 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.4 m -56.81 -51.54 68.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.418 0.628 . . . . 1.0 109.398 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.3 ttpt -62.65 -41.2 98.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.445 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.05 -43.54 63.82 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.404 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 14' ' ' THR . 38.0 p -65.46 -38.83 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.737 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -65.66 -37.41 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.661 . . . . 1.0 110.288 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.69 -40.55 76.29 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.591 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.33 -41.34 88.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.166 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.3 mttt -66.1 -38.81 89.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.041 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 9.88 1.43 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.57 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 40.7 mmtm 67.25 27.66 8.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.767 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.18 68.4 1.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 1.0 109.903 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.5 m-85 -56.85 -42.81 80.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 81.0 mt-10 -59.74 -55.34 35.56 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.266 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -63.55 -45.37 90.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.334 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.22 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.262 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 37.6 tp -58.25 -46.51 85.84 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 121.019 -0.272 . . . . 1.0 111.147 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -59.33 -42.94 92.65 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.476 -178.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 54.1 mt -68.05 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.462 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.36 -49.34 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.56 -42.31 98.35 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.666 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -63.95 -50.12 69.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.728 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.67 71.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.621 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.511 HG21 ' HG ' ' A' ' 64' ' ' LEU . 37.1 t -57.31 -43.0 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.342 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -55.67 -48.59 74.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -62.7 -38.99 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.569 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.9 m-85 -61.68 -51.17 69.54 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.111 0.481 . . . . 1.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.43 -38.75 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -66.05 -34.1 77.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.497 0.665 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.7 79.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.804 0.812 . . . . 1.0 111.565 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -66.95 -33.59 64.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.527 -0.469 . . . . 1.0 111.595 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.229 0.538 . . . . 1.0 112.124 -179.699 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.218 -0.581 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -53.92 14.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.609 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.56 -40.58 60.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.029 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -63.99 -42.87 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 52' ' ' ALA . 14.7 mm -66.92 -46.58 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.501 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.61 -59.25 5.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 1.0 110.251 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.28 45.8 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.956 0.408 . . . . 1.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 17.6 mmmt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.51 -40.6 62.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.729 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.13 -48.55 83.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 1.0 109.838 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -54.66 -46.37 73.99 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.496 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.48 -51.04 69.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.999 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.8 mt -58.89 -51.24 70.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.268 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -47.33 -47.81 25.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.233 -0.284 . . . . 1.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 31.3 mmm-85 -59.68 -44.61 93.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.41 0.624 . . . . 1.0 110.09 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.93 -37.14 81.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.485 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.55 -56.18 15.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -59.18 -36.96 76.25 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 120.84 0.352 . . . . 1.0 110.308 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.8 mt -60.18 -47.37 86.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.559 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -72.17 -23.25 61.25 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.43 -0.805 . . . . 1.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.46 -57.34 7.57 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.454 0.645 . . . . 1.0 112.698 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.61 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -78.12 -27.99 48.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.408 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 171' ' ' PRO . . . . . 0.43 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 33.8 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 CA-C-O 120.81 0.254 . . . . 1.0 112.217 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 172' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' B' ' 173' ' ' VAL . 11.9 tm-20 -100.24 125.73 46.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.664 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.406 ' O ' ' OE2' ' B' ' 172' ' ' GLU . 0.0 OUTLIER -53.47 134.29 53.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.929 -179.366 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.449 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.8 Cg_endo . . . . . 0 C--N 1.309 -1.5 0 C-N-CA 122.399 2.066 . . . . 1.0 112.34 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.925 0.393 . . . . 1.0 110.23 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -61.59 -43.1 99.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.023 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.07 -45.5 85.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.237 0.541 . . . . 1.0 110.74 -179.252 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -59.16 -41.95 89.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.379 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -43.78 91.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.7 -46.18 84.7 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.287 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.5 mt -63.08 -42.18 95.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-O 121.99 0.9 . . . . 1.0 109.609 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.15 -48.5 81.39 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.205 -0.934 . . . . 1.0 110.635 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.27 -42.99 99.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.306 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.7 p -66.53 -39.82 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.613 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 16.4 m -57.16 -51.8 67.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.65 0.738 . . . . 1.0 109.354 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -61.03 -40.8 94.98 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.7 -0.8 . . . . 1.0 108.952 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.24 64.41 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.389 -0.525 . . . . 1.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 45.6 p -64.53 -41.32 96.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.907 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -40.66 96.75 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.257 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.97 -0.559 . . . . 1.0 109.803 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.13 -39.29 85.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.913 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 23' ' ' LYS . 56.3 mttt -66.16 -39.91 90.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 1.0 109.862 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 9.89 1.48 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.762 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.5 mmtt 66.61 28.41 9.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.677 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.71 69.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.319 0.581 . . . . 1.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.72 -40.64 84.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.2 -53.09 61.28 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.428 -0.509 . . . . 1.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.97 -45.36 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.94 90.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.35 -45.63 90.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.086 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.87 -44.28 94.27 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.541 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.9 mt -66.33 -38.93 88.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.773 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.36 -48.25 82.34 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.728 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.35 -41.19 98.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.556 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -64.38 -49.59 71.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -52.03 -49.2 63.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.091 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.6 t -57.73 -43.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.377 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.66 -49.51 70.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.748 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.57 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.619 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.3 m-85 -61.41 -48.63 80.34 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.434 0.635 . . . . 1.0 110.669 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.866 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 84.2 mt -63.01 -40.08 96.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.636 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.4 -36.44 84.15 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.24 0.543 . . . . 1.0 110.732 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -46.57 82.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.323 0.582 . . . . 1.0 112.482 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' H ' HG12 ' A' ' 43' ' ' ILE . 15.3 pt -63.46 -33.17 59.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 121.566 -0.709 . . . . 1.0 111.775 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 17.0 mtpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 112.821 0.675 . . . . 1.0 112.821 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.664 ' NZ ' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -47.58 -52.87 16.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 119.831 -0.748 . . . . 1.0 110.727 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.14 -39.78 63.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.867 -0.733 . . . . 1.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -63.84 -43.16 96.98 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.07 -0.652 . . . . 1.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.9 mm -67.69 -46.47 82.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.721 -0.391 . . . . 1.0 110.481 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.33 -58.24 9.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.03 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.07 -50.14 62.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.495 0.664 . . . . 1.0 110.42 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -63.16 -41.82 99.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.2 m -52.42 -38.69 59.71 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.75 -47.81 84.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -55.65 -47.56 76.46 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.529 -0.468 . . . . 1.0 110.277 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.18 -50.22 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.715 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.9 mt -59.72 -48.0 83.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.983 -0.687 . . . . 1.0 110.42 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -51.02 -45.03 61.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 30.5 mmm-85 -60.94 -44.42 97.29 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.57 81.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.457 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -63.87 -54.8 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.299 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.4 ptmt -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.164 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 74' ' ' LEU . 26.7 mt -60.39 -48.44 81.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.537 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -72.03 -23.61 61.41 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.954 -1.021 . . . . 1.0 110.842 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -65.79 -56.27 12.81 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 p90 -78.12 -29.11 48.69 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.268 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.7 mt . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.1 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 CA-C-O 120.596 0.165 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -110.0 137.44 47.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.166 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.57 138.58 93.68 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.828 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.481 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 72.7 Cg_endo . . . . . 0 N--CA 1.492 1.415 0 C-N-CA 122.256 1.971 . . . . 1.0 111.86 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.857 0.361 . . . . 1.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.348 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.94 -45.39 81.99 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.395 0.616 . . . . 1.0 111.155 -179.517 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.21 -46.83 87.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.797 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -63.06 -43.89 97.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.481 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.35 -43.94 75.48 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.66 -41.54 92.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-O 122.017 0.913 . . . . 1.0 109.447 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -58.5 -47.35 84.39 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.512 -0.742 . . . . 1.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.6 -44.64 93.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.415 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 3.2 p -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.164 0.507 . . . . 1.0 111.204 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.6 m -59.05 -48.28 82.17 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.247 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.5 tppt? -60.31 -40.69 91.48 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.3 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -52.51 -45.83 66.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.513 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.679 HG22 ' HD3' ' B' ' 174' ' ' PRO . 52.9 p -63.33 -38.94 93.09 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.264 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -66.84 -38.29 86.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.91 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' CB ' ' A' ' 24' ' ' ASN . 69.1 mm-40 -70.93 -47.19 60.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.683 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.86 -45.99 74.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.981 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 23' ' ' LYS . 43.1 mtmt -65.76 -36.1 82.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.861 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 8.14 1.79 Allowed 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.28 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.3 mmtp 69.42 31.2 3.88 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.849 0.718 . . . . 1.0 110.726 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' CB ' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -107.99 68.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 1.0 109.771 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 8.0 m-85 -54.55 -42.93 71.53 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -55.2 33.73 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 120.317 -0.553 . . . . 1.0 111.84 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -60.53 -45.26 94.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.05 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.5 81.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.102 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -45.4 93.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.786 -0.366 . . . . 1.0 111.245 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.99 -43.1 95.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.194 -0.602 . . . . 1.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -64.37 -42.53 96.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 122.353 -0.217 . . . . 1.0 111.404 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -60.31 -48.84 80.02 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.766 0.666 . . . . 1.0 111.554 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.64 -45.0 92.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.108 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.41 -48.42 79.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.595 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.69 76.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.637 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 64' ' ' LEU . 43.1 t -55.27 -42.67 67.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.409 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.07 -50.66 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.511 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -62.73 -39.85 95.39 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 1.0 110.703 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -60.82 -48.8 80.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.48 -39.03 93.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.469 0.652 . . . . 1.0 110.214 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.77 -21.87 64.32 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.39 17.62 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 121.342 0.591 . . . . 1.0 111.255 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.0 pt -64.36 -30.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 C-N-CA 120.625 -0.43 . . . . 1.0 111.728 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.228 0.537 . . . . 1.0 111.554 179.733 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.95 82.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.95 -0.3 . . . . 1.0 110.441 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -58.18 -35.61 71.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.068 0.461 . . . . 1.0 110.135 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.525 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 8.9 mm -69.3 -44.58 80.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.984 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.16 -41.73 97.03 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.113 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -66.76 -46.24 76.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.847 0.832 . . . . 1.0 110.879 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 1.0 OUTLIER -71.14 -35.67 71.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.311 0.577 . . . . 1.0 110.765 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 9.2 m -56.44 -47.39 79.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.724 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -66.06 -30.53 50.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.763 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -66.09 -44.99 82.79 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.353 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.72 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 26.0 m-85 -67.11 -42.4 84.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.76 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.9 mt -66.71 -28.19 68.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.263 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -69.29 -47.9 63.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 13.7 mmm180 -64.14 -40.05 95.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.54 0.686 . . . . 1.0 110.049 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.0 85.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -67.53 -56.71 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.444 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.54 -35.7 76.64 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 74' ' ' LEU . 16.0 mt -58.71 -46.68 86.78 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.147 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -72.71 -23.18 60.82 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.699 0.761 . . . . 1.0 109.869 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -66.94 -57.37 7.05 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.138 0.792 . . . . 1.0 113.138 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.5 p90 -77.05 -29.02 54.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.4 mt . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 171' ' ' PRO . . . . . 0.498 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 29.2 Cg_endo . . . . . 0 N--CA 1.495 1.564 0 CA-C-O 120.927 0.303 . . . . 1.0 111.949 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.03 126.36 51.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.589 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' B' ' 174' ' ' PRO . 0.0 OUTLIER -50.97 144.03 14.45 Favored Pre-proline 0 N--CA 1.443 -0.819 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.758 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.679 ' HD3' HG22 ' A' ' 17' ' ' THR . 7.2 Cg_exo . . . . . 0 C--N 1.304 -1.796 0 C-N-CA 122.31 2.007 . . . . 1.0 112.137 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.878 0.37 . . . . 1.0 110.121 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -60.87 -45.23 95.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.093 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.41 -42.98 78.19 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.078 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -58.46 -46.48 86.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 1.0 109.709 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -61.39 -37.66 84.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.615 -0.72 . . . . 1.0 109.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.21 -42.23 90.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.482 0.658 . . . . 1.0 110.081 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.0 -41.36 91.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.078 0.942 . . . . 1.0 110.062 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.65 -43.5 96.55 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.271 -0.572 . . . . 1.0 110.558 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.19 -45.02 90.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.722 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 63' ' ' TYR . 9.8 p -69.06 -34.2 62.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.616 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' ' 17' ' ' THR . 98.7 m -58.97 -48.24 82.25 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.837 0.827 . . . . 1.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -63.53 -41.78 98.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.434 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.79 -43.22 62.96 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 41.1 p -66.74 -36.27 82.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.439 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.97 -40.04 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.566 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.12 -42.12 73.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.18 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.28 -44.15 83.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.657 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 23' ' ' LYS . 38.6 mtmt -66.46 -38.32 87.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.773 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 11.91 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 21' ' ' LYS . 15.4 mmmt 66.02 22.64 11.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.526 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.15 69.68 2.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.569 0.699 . . . . 1.0 109.913 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.584 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 2.6 m-85 -55.39 -45.8 76.58 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.747 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.01 -54.1 50.88 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.685 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -63.96 -46.39 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.071 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.69 78.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.513 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -59.16 -46.75 87.56 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.939 -179.154 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -58.49 -42.92 88.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.736 -0.786 . . . . 1.0 110.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.6 mt -66.62 -40.64 88.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 1.0 110.785 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -60.83 -45.38 94.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.481 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -60.01 -49.32 78.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.273 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.66 65.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 64' ' ' LEU . 51.8 t -56.16 -45.64 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.366 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.58 -49.5 72.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.0 110.714 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.3 m-85 -63.74 -40.25 96.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.0 m-85 -61.54 -50.38 72.89 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.377 0.608 . . . . 1.0 110.18 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 81.7 mt -63.16 -42.5 99.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.921 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -64.45 -28.04 69.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.199 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.93 45.11 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 112.185 0.439 . . . . 1.0 112.185 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.41 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.9 pt -59.26 -29.47 41.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 120.143 -0.623 . . . . 1.0 111.198 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 112.374 0.509 . . . . 1.0 112.374 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.729 0 CA-C-O 120.846 0.355 . . . . 1.0 110.43 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -48.11 -53.1 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.08 -0.648 . . . . 1.0 110.743 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -52.59 -41.52 63.71 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.644 -0.822 . . . . 1.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -63.29 -44.05 96.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.591 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.8 mm -68.48 -44.4 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 121.044 0.45 . . . . 1.0 110.847 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.06 -38.46 88.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.75 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.61 -48.74 63.34 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 122.084 0.945 . . . . 1.0 110.546 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.588 0.709 . . . . 1.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.9 m -55.5 -51.42 67.06 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.142 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -63.82 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.832 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.27 -46.49 67.1 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.481 -0.487 . . . . 1.0 110.726 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 13' ' ' VAL . 28.0 m-85 -62.06 -49.04 77.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.702 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.8 mt -60.2 -50.75 72.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.661 -0.815 . . . . 1.0 109.771 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.699 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 62.9 t0 -48.94 -41.32 33.48 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.249 -0.648 . . . . 1.0 109.249 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -68.07 -46.55 70.74 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.526 -0.869 . . . . 1.0 110.929 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.5 -40.42 94.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.477 -177.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.699 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -64.71 -47.66 77.51 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -62.95 -33.71 75.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.84 -0.744 . . . . 1.0 109.565 -179.231 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HE2' ' A' ' 73' ' ' TYR . 32.4 mt -61.81 -45.1 95.3 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.362 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' N ' HD11 ' A' ' 29' ' ' LEU . 31.8 ttmt -70.93 -23.55 62.27 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.513 -1.221 . . . . 1.0 110.544 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -67.32 -57.09 7.28 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.761 0.791 . . . . 1.0 112.947 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.584 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.9 p90 -75.92 -29.97 58.58 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.42 -0.912 . . . . 1.0 110.176 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt . . . . . 0 C--O 1.238 0.47 0 C-N-CA 120.401 -0.519 . . . . 1.0 110.277 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo . . . . . 0 N--CA 1.494 1.55 0 CA-C-O 120.987 0.328 . . . . 1.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -108.6 143.6 37.43 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.343 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.415 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.65 134.75 92.54 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.94 -178.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.7 Cg_endo . . . . . 0 N--CA 1.491 1.331 0 C-N-CA 122.029 1.819 . . . . 1.0 111.786 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.919 0.39 . . . . 1.0 110.407 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -61.17 -41.82 97.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.84 -45.7 85.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.253 0.549 . . . . 1.0 110.89 -179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.36 -44.6 88.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.437 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -63.1 -43.75 97.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.461 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.23 -47.65 78.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.229 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.3 mt -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.995 0.903 . . . . 1.0 109.786 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -59.58 -47.84 84.01 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.184 -0.948 . . . . 1.0 110.764 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.54 -42.57 95.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.176 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.3 p -66.78 -39.57 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.355 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.4 m -58.93 -48.87 79.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.465 0.65 . . . . 1.0 109.437 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.4 ttmt -61.05 -40.82 95.08 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.078 -0.712 . . . . 1.0 109.078 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -55.39 -42.58 74.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.324 -0.55 . . . . 1.0 111.059 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.9 p -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.175 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 3.3 pt-20 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.549 0.69 . . . . 1.0 110.473 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.57 -39.32 94.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.425 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.77 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.9 mttt -65.09 -40.28 94.37 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 10.81 1.26 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.499 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 66.17 28.22 10.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -99.12 69.64 1.74 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 121.32 0.581 . . . . 1.0 109.889 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 5.1 m-85 -57.25 -42.68 82.0 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 122.123 -0.361 . . . . 1.0 110.644 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.1 -53.16 61.03 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.002 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 14.0 tp10 -66.47 -43.64 84.91 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 121.906 0.86 . . . . 1.0 109.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.06 96.67 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.493 -0.754 . . . . 1.0 110.569 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.6 tp -59.12 -48.64 80.85 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.574 0.583 . . . . 1.0 112.574 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 12.4 ptm180 -60.84 -40.65 93.63 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.577 -0.849 . . . . 1.0 110.094 -178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 58.4 mt -64.82 -39.63 93.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.02 -47.88 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.21 -42.67 99.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.513 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.391 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.99 -49.42 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 64' ' ' LEU . 50.9 t -57.84 -45.37 87.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.255 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -53.32 -49.37 67.19 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 120.064 -0.654 . . . . 1.0 111.067 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.85 -37.99 86.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 17.6 m-85 -61.88 -50.05 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.034 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 HD11 ' A' ' 43' ' ' ILE . 3.7 mm? -61.39 -39.34 90.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.285 0.564 . . . . 1.0 110.26 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -67.01 -30.38 70.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.333 0.587 . . . . 1.0 110.062 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.97 -47.82 60.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.501 0.667 . . . . 1.0 111.333 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.871 HD11 HD13 ' A' ' 40' ' ' LEU . 18.6 pt -64.13 -32.38 57.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.969 -0.692 . . . . 1.0 111.248 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 CA--C 1.512 -0.491 0 CA-C-O 121.164 0.507 . . . . 1.0 112.289 179.709 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 109.704 -0.48 . . . . 1.0 109.704 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -52.2 52.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.755 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.72 -39.43 62.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.804 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 t -62.19 -44.13 97.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.836 -0.746 . . . . 1.0 110.415 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.533 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 18.6 mm -64.83 -49.17 81.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 120.865 0.364 . . . . 1.0 110.847 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -54.21 -58.1 8.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.251 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.26 57.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 1.0 110.64 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.1 tptt -60.71 -42.35 97.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.243 0.544 . . . . 1.0 110.941 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 92.3 m -52.88 -43.09 65.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.987 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.7 -48.84 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.82 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -54.48 -46.81 73.48 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.356 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.4 m-85 -62.48 -50.21 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.4 mt -59.79 -48.61 80.98 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.942 -0.703 . . . . 1.0 110.514 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -50.88 -45.67 60.13 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.48 -0.488 . . . . 1.0 109.928 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -60.0 -45.85 91.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.112 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.58 -36.97 79.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.731 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.75 -54.52 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.95 -36.52 81.66 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.219 -0.593 . . . . 1.0 110.553 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.3 mt -60.62 -48.92 79.64 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.176 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.67 -25.93 63.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.398 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -64.25 -55.16 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.7 p90 -78.72 -30.26 45.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.573 -0.851 . . . . 1.0 110.631 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.9 mt . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.199 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo . . . . . 0 N--CA 1.498 1.741 0 CA-C-O 120.81 0.254 . . . . 1.0 111.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.53 120.82 42.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.093 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.414 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.77 134.58 36.75 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.749 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.414 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.1 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 C-N-CA 122.223 1.949 . . . . 1.0 112.062 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 1.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -60.57 -43.76 96.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.191 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.92 -44.26 85.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.616 0.722 . . . . 1.0 110.84 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.62 -43.17 99.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.497 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -65.56 -44.09 87.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.624 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.208 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.2 mt -65.02 -40.47 89.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 122.059 0.933 . . . . 1.0 109.59 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -60.71 -44.77 96.18 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.517 -0.74 . . . . 1.0 110.403 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.04 -43.79 91.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.481 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.93 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 12.3 m -57.06 -50.71 71.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.607 0.718 . . . . 1.0 109.147 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 26.2 ttpt -64.24 -41.52 96.95 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.112 -0.635 . . . . 1.0 109.455 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.92 -44.41 63.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.913 -0.492 . . . . 1.0 110.592 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 14' ' ' THR . 35.0 p -64.81 -38.27 90.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.768 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.04 -38.76 89.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.404 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 68.8 mm-40 -67.02 -39.92 87.13 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.614 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 38.9 t0 -58.42 -41.38 84.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.788 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 23' ' ' LYS . 51.8 mttt -65.63 -40.45 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 12.57 0.69 Allowed 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.546 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.9 mmtt 64.68 29.08 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.817 0.698 . . . . 1.0 110.859 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -100.77 67.03 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.0 109.865 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.627 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.0 m-85 -56.47 -43.24 79.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -59.18 -53.51 57.51 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.491 -0.484 . . . . 1.0 111.202 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.41 -46.21 80.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.302 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.2 84.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.212 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 41.7 tp -58.73 -47.42 84.66 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.311 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.03 -42.86 86.24 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.169 -0.612 . . . . 1.0 110.625 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 72.7 mt -67.73 -39.02 84.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.798 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -59.48 -48.99 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.922 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.57 -44.18 96.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.628 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -61.28 -49.43 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -48.55 70.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG21 ' HG ' ' A' ' 64' ' ' LEU . 36.4 t -55.0 -44.57 74.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -55.17 -49.34 72.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.475 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -62.84 -39.25 93.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 20.7 m-85 -60.98 -50.54 72.97 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.5 0.667 . . . . 1.0 110.697 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.86 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 57.9 mt -62.73 -41.06 98.99 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.507 -0.769 . . . . 1.0 109.713 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -62.76 -34.33 77.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.18 0.514 . . . . 1.0 110.96 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.8 78.17 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.669 0.747 . . . . 1.0 112.575 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.1 pt -63.14 -34.01 64.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 O-C-N 121.675 -0.64 . . . . 1.0 111.952 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.86 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.0 mtpt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 112.619 0.6 . . . . 1.0 112.619 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.222 -0.393 0 N-CA-C 110.156 -0.312 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -46.76 -54.43 9.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.13 -41.11 64.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.568 . . . . 1.0 109.589 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -62.51 -44.25 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.114 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.59 -44.61 86.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.358 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.02 -38.71 92.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.98 -50.9 44.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.758 0.79 . . . . 1.0 110.502 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -65.38 -37.66 87.66 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.716 -0.615 . . . . 1.0 110.455 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -55.07 -50.33 69.42 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.971 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 58' ' ' ALA . 1.1 p -63.13 -29.88 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.552 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.0 -46.89 64.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.349 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.8 m-85 -62.33 -48.5 79.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.557 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.3 mt -60.04 -51.08 71.19 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.015 -0.674 . . . . 1.0 110.274 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.46 -46.56 38.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 31.9 mmm-85 -60.88 -44.59 96.88 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.19 -0.604 . . . . 1.0 109.875 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.25 -34.19 74.74 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.373 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.35 -55.55 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 ptmm? -60.11 -37.18 79.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.491 -0.483 . . . . 1.0 110.165 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.7 mt -60.85 -48.41 81.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.376 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -70.93 -23.38 62.24 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.903 -1.044 . . . . 1.0 110.451 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.25 -57.39 6.77 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.6 p90 -75.72 -29.58 58.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.323 -0.853 . . . . 1.0 109.915 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.233 0.216 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.496 1.646 0 CA-C-O 120.714 0.214 . . . . 1.0 112.149 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -106.34 126.47 52.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.114 0.483 . . . . 1.0 110.286 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.42 136.27 32.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.804 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.484 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 59.4 Cg_endo . . . . . 0 C--N 1.313 -1.319 0 C-N-CA 122.253 1.969 . . . . 1.0 111.956 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.85 0.357 . . . . 1.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -61.66 -44.04 97.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.296 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.59 -46.53 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.466 0.65 . . . . 1.0 110.772 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.27 -44.9 88.61 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.501 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -63.67 -43.26 97.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.204 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.21 -44.29 79.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.987 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.8 -42.31 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 122.181 0.991 . . . . 1.0 109.672 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -59.86 -48.69 80.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.392 -0.818 . . . . 1.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.05 -43.45 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.019 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 p -67.8 -39.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 17' ' ' THR . 46.8 m -56.47 -50.84 70.54 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.743 0.783 . . . . 1.0 109.415 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.27 -40.38 93.88 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.442 -0.903 . . . . 1.0 109.237 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -52.3 -42.26 63.62 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.236 -0.586 . . . . 1.0 110.729 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 14' ' ' THR . 70.3 p -66.56 -40.16 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.626 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.71 -41.21 99.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.674 0.75 . . . . 1.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.8 -41.76 91.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.165 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.7 -41.63 86.71 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.927 -0.578 . . . . 1.0 109.669 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.7 mttt -66.26 -38.97 89.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.907 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 11.43 0.79 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.514 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 21' ' ' LYS . 16.0 mmmt 65.99 29.57 10.09 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.587 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -103.18 71.2 1.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.464 0.649 . . . . 1.0 110.013 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.3 m-85 -57.82 -43.72 85.94 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.29 -53.1 61.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.351 -0.54 . . . . 1.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.04 -44.87 87.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 1.0 110.354 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.33 89.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.1 tt -61.65 -44.86 96.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.924 0.393 . . . . 1.0 110.976 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.618 -0.833 . . . . 1.0 110.307 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.32 -39.93 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.021 0.439 . . . . 1.0 110.664 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.43 -42.22 98.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.81 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.39 -50.89 65.87 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.5 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.43 -48.42 62.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.8 t -58.2 -43.28 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.491 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -55.27 -49.76 71.25 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.17 -38.05 89.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.765 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -61.53 -48.05 82.81 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.437 0.636 . . . . 1.0 110.78 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.8 -39.02 92.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.566 0.698 . . . . 1.0 109.504 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -64.15 -35.41 80.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.503 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.42 79.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.861 0.839 . . . . 1.0 112.255 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.67 -34.52 70.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.071 -1.018 . . . . 1.0 111.432 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 179.708 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.217 -0.61 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -57.88 -52.66 64.56 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.618 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.03 -37.5 64.18 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.337 -0.545 . . . . 1.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.23 -43.37 98.97 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.806 -0.757 . . . . 1.0 110.571 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -66.19 -47.0 86.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.992 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -59.98 -57.94 10.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.419 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.97 -48.39 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.947 0.879 . . . . 1.0 110.113 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -66.53 -39.63 88.72 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.951 -0.7 . . . . 1.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.7 m -55.63 -49.32 73.16 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.423 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.11 -29.91 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.99 -46.87 64.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.299 -0.561 . . . . 1.0 110.445 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 31.0 m-85 -61.21 -48.49 81.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.271 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -60.42 -48.75 80.42 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.006 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -50.09 -45.21 52.44 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.077 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 14.3 mmm180 -60.92 -45.12 95.94 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.601 -0.84 . . . . 1.0 109.984 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -34.05 75.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.744 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.38 -54.46 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.296 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.547 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 7.3 pttm -60.8 -35.26 76.05 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.768 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.0 mt -60.29 -46.87 88.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.377 0.608 . . . . 1.0 110.039 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.5 ttpt -70.88 -24.67 62.54 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.742 -1.117 . . . . 1.0 111.236 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -66.68 -55.62 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.564 . . . . 1.0 112.507 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 10.3 p90 -77.97 -29.35 49.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.229 -0.989 . . . . 1.0 109.875 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.6 mt . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 119.991 -0.684 . . . . 1.0 109.421 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.494 1.537 0 CA-C-O 120.707 0.211 . . . . 1.0 112.071 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -107.91 120.21 41.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -50.39 130.1 25.36 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.648 -178.759 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.479 ' O ' ' CZ ' ' A' ' 66' ' ' ARG . 72.0 Cg_endo . . . . . 0 N--CA 1.494 1.526 0 C-N-CA 122.063 1.842 . . . . 1.0 112.155 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.963 0.411 . . . . 1.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.85 -46.49 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.437 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.198 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.455 ' CD ' ' C ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -54.22 -51.69 63.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.159 -0.616 . . . . 1.0 109.644 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -57.82 -40.13 79.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 119.808 -0.757 . . . . 1.0 109.21 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.61 -48.36 77.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 119.947 -0.701 . . . . 1.0 110.485 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.3 mt -65.35 -42.12 92.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.327 1.061 . . . . 1.0 109.707 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.58 -46.68 88.22 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 120.959 -1.088 . . . . 1.0 110.717 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.43 -42.56 95.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.379 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.8 p -67.5 -38.9 81.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.311 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' OG1' ' A' ' 17' ' ' THR . 8.3 m -57.37 -50.79 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.996 0.903 . . . . 1.0 109.057 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -61.43 -41.58 97.4 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.286 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -53.14 -44.16 67.54 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.282 -0.567 . . . . 1.0 111.333 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 14' ' ' THR . 32.5 p -63.75 -41.27 98.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.604 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -40.26 94.18 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.032 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.0 109.92 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.05 -40.22 84.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.575 -0.739 . . . . 1.0 109.628 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 60.5 mttt -66.01 -39.94 90.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.773 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 10.69 1.26 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.4 mmtp 66.1 30.11 9.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.926 0.766 . . . . 1.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.28 69.49 1.14 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.417 0.627 . . . . 1.0 109.963 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.0 -39.93 79.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.316 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -62.96 -52.3 63.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.244 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.9 tp10 -66.09 -43.29 87.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.208 1.004 . . . . 1.0 109.544 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.59 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.8 tp -59.47 -47.95 83.53 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 13.5 ptm180 -61.35 -42.6 98.95 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.595 -0.842 . . . . 1.0 109.778 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 75.6 mt -64.23 -38.92 92.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.265 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -59.41 -47.13 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.296 0.569 . . . . 1.0 110.578 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -40.94 98.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -64.43 -50.66 66.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.32 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.06 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.616 HG21 ' HG ' ' A' ' 64' ' ' LEU . 42.0 t -57.64 -43.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.482 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.63 -49.41 70.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.114 0.483 . . . . 1.0 110.761 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -64.26 -38.55 91.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.108 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.5 m-85 -61.69 -49.2 77.46 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.728 0.775 . . . . 1.0 110.478 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 73.9 mt -63.0 -40.23 97.16 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.487 -0.779 . . . . 1.0 109.415 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.454 -0.498 . . . . 1.0 110.993 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -46.77 78.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.747 0.784 . . . . 1.0 112.579 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 6.2 pt -62.68 -33.03 57.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 119.494 -0.883 . . . . 1.0 111.631 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.4 mtpt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 112.988 0.736 . . . . 1.0 112.988 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.769 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.6 mptp? -54.07 -49.55 68.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.484 -0.487 . . . . 1.0 110.171 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -54.16 -39.57 66.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.98 -43.32 99.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.858 -0.737 . . . . 1.0 110.254 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.5 mm -68.71 -44.43 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.475 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.0 -37.49 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.2 -48.24 57.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.268 1.033 . . . . 1.0 110.518 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 20.5 mmmt -68.01 -36.94 80.79 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 119.725 -0.79 . . . . 1.0 110.38 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 7.2 m -55.48 -50.24 70.41 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.038 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.6 p -63.76 -29.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.439 -0.504 . . . . 1.0 110.642 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.41 -47.45 64.11 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.857 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.6 m-85 -62.25 -48.11 81.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.677 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.0 mt -60.15 -49.03 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.094 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -49.71 -45.44 49.06 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.062 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.0 mmm180 -61.01 -44.57 97.22 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.857 -0.737 . . . . 1.0 109.69 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.29 -36.36 79.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.377 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.54 -54.75 27.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.01 -36.38 79.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.925 -0.71 . . . . 1.0 109.963 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.56 -48.16 83.0 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.121 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.41 -25.17 63.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.845 -1.07 . . . . 1.0 110.811 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -65.55 -56.04 14.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.828 0.823 . . . . 1.0 112.873 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.0 p90 -78.26 -29.48 48.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 119.525 -0.87 . . . . 1.0 109.887 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 25' ' ' TYR . 14.7 mt . . . . . 0 C--N 1.317 -0.812 0 C-N-CA 119.543 -0.863 . . . . 1.0 109.764 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 120.847 0.27 . . . . 1.0 111.898 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.94 136.47 51.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.435 0.636 . . . . 1.0 110.359 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.28 135.69 96.36 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.59 -178.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 C-N-CA 122.103 1.869 . . . . 1.0 112.114 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.04 -41.89 93.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.959 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.25 -44.41 88.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.35 0.595 . . . . 1.0 110.867 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.71 -39.18 90.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.608 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -66.91 -44.0 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.664 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.82 -44.86 86.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.021 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.22 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.922 0.868 . . . . 1.0 109.79 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -59.8 -45.04 93.58 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 121.26 -0.9 . . . . 1.0 110.743 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.56 -42.79 91.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.644 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.5 p -67.59 -38.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 1.0 110.411 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' OG1' ' A' ' 17' ' ' THR . 72.4 m -57.77 -48.47 79.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.1 ttmt -63.32 -42.1 98.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.329 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.46 65.22 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.528 -0.469 . . . . 1.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.1 p -65.66 -40.31 92.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.95 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.1 pt-20 -63.78 -40.56 96.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.865 -0.734 . . . . 1.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.16 -38.99 89.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.812 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 47.2 t0 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.891 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 23' ' ' LYS . 53.2 mttt -65.62 -40.15 92.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.582 -0.447 . . . . 1.0 109.828 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.06 10.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.678 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 21' ' ' LYS . 70.8 mmtt 66.45 23.21 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.75 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.49 67.82 3.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.33 0.586 . . . . 1.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.88 -41.2 82.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.471 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.32 -53.17 60.79 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.339 -0.544 . . . . 1.0 111.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.54 -45.78 82.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.96 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.55 82.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.88 -46.36 88.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.12 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -59.11 -42.82 91.46 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.94 -0.704 . . . . 1.0 110.472 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 61.2 mt -67.17 -39.17 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.768 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.04 -49.49 77.44 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.085 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.11 -42.48 99.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -63.37 -50.32 70.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.05 -46.76 72.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.758 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 64' ' ' LEU . 33.8 t -57.28 -44.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.073 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -54.33 -49.22 70.24 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.466 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.74 -38.35 90.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.424 -0.511 . . . . 1.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.664 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.7 m-85 -61.35 -50.01 74.63 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.673 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.794 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 58.6 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.997 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.19 -30.54 71.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.137 0.494 . . . . 1.0 111.035 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.28 60.14 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 122.091 -0.381 . . . . 1.0 111.774 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.3 pt -59.53 -31.37 46.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 120.353 -0.539 . . . . 1.0 112.2 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.794 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 9.2 mtpt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 112.885 0.698 . . . . 1.0 112.885 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -50.75 -50.3 56.03 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.38 -39.71 67.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.496 -0.482 . . . . 1.0 109.814 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -60.87 -43.47 98.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.842 -0.743 . . . . 1.0 110.524 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 21.3 mm -66.42 -44.76 90.48 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.234 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.72 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.914 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.52 -49.8 61.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.978 0.894 . . . . 1.0 110.193 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.1 mmmt -64.5 -40.31 95.41 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.319 -0.863 . . . . 1.0 111.182 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 22.5 m -54.01 -43.94 70.5 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.162 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.336 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -69.53 -47.96 62.01 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.228 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.93 -48.67 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.41 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.5 mt -59.24 -48.82 80.19 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.739 -0.784 . . . . 1.0 110.118 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.8 -45.18 49.65 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.781 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 33.9 mmm-85 -61.46 -44.46 97.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.948 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.485 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.71 -55.06 22.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.303 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.77 -37.17 83.32 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.454 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 74' ' ' LEU . 19.3 mt -60.82 -49.16 78.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.185 0.517 . . . . 1.0 110.554 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -70.81 -22.39 62.35 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.793 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.84 -57.02 6.97 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.568 0.699 . . . . 1.0 112.694 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.2 p90 -76.1 -30.01 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.497 -0.881 . . . . 1.0 110.103 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.512 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 171' ' ' PRO . . . . . 0.432 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 41.7 Cg_endo . . . . . 0 N--CA 1.496 1.656 0 N-CA-C 111.523 -0.222 . . . . 1.0 111.523 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -134.86 139.89 45.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.325 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -68.81 131.21 91.22 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.696 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 17' ' ' THR . 70.8 Cg_endo . . . . . 0 N--CA 1.494 1.504 0 C-N-CA 122.074 1.85 . . . . 1.0 111.793 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.816 0.341 . . . . 1.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.25 -44.04 95.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.33 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.42 -44.6 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.372 0.606 . . . . 1.0 110.618 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.15 -46.4 88.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.704 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -42.94 97.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.482 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.37 -45.44 76.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.336 0.588 . . . . 1.0 109.799 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.2 mt -63.95 -41.08 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.864 0.84 . . . . 1.0 109.8 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.95 -47.4 85.95 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.711 -0.796 . . . . 1.0 111.091 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.16 -43.89 97.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.328 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.9 p -68.26 -37.59 78.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.334 -0.546 . . . . 1.0 110.553 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 m -57.33 -51.01 71.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.494 0.664 . . . . 1.0 109.423 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -62.48 -40.87 98.08 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.54 -0.864 . . . . 1.0 109.449 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -43.39 63.06 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.437 HG22 ' HD3' ' B' ' 174' ' ' PRO . 47.3 p -66.11 -39.45 89.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.425 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -40.84 96.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.901 -0.719 . . . . 1.0 110.126 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -64.76 -39.72 94.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.122 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -59.67 -40.46 87.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.682 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' LYS . 55.1 mttt -65.64 -39.66 91.69 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.782 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 10.02 1.28 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.582 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.0 mmtp 65.95 32.35 8.57 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.979 0.799 . . . . 1.0 110.457 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -104.09 69.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 1.0 109.865 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.6 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -57.39 -43.81 83.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.312 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.64 -53.22 60.78 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.497 -0.481 . . . . 1.0 111.698 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.0 -45.63 77.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.972 0.415 . . . . 1.0 110.133 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.18 82.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' LYS . 2.9 tt -61.08 -46.84 89.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 1.0 111.83 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.737 ' NH1' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.96 -40.84 94.87 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 119.778 -0.769 . . . . 1.0 109.828 -179.451 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.737 HD21 ' NH1' ' A' ' 30' ' ' ARG . 81.6 mt -65.4 -40.21 93.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.858 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.64 -46.48 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.923 0.392 . . . . 1.0 110.563 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -63.69 -42.39 98.02 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.06 -51.77 62.5 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.353 0.597 . . . . 1.0 110.747 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.84 75.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.779 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG21 ' HG ' ' A' ' 64' ' ' LEU . 29.4 t -58.45 -43.55 86.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -54.0 -49.53 68.65 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -62.4 -38.97 91.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.884 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.4 m-85 -60.75 -49.24 78.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.598 0.714 . . . . 1.0 110.684 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 66.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.231 -0.587 . . . . 1.0 110.736 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.15 72.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.697 0.761 . . . . 1.0 112.597 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.438 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.4 pt -62.56 -34.43 64.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 C-N-CA 119.493 -0.883 . . . . 1.0 111.398 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 12.2 mtmt . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 109.721 -0.474 . . . . 1.0 109.721 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -47.81 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.633 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -60.42 -33.69 72.88 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.409 -0.516 . . . . 1.0 110.06 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.526 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.7 mm -68.1 -45.93 82.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-O 121.249 0.547 . . . . 1.0 110.523 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.25 -57.96 10.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.128 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.47 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 1.0 110.561 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.521 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.2 mmmm -62.27 -42.89 99.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.948 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -52.67 -39.85 62.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -64.8 -47.72 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.856 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -56.15 -46.6 79.21 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.957 0.408 . . . . 1.0 110.448 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 26.4 m-85 -63.19 -50.5 70.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -60.59 -47.74 84.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.712 -0.795 . . . . 1.0 110.431 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -52.34 -45.04 65.52 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.072 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' B' ' 173' ' ' VAL . 17.5 mmm180 -60.34 -44.41 95.54 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.785 -0.766 . . . . 1.0 109.43 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.63 80.53 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.9 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -54.68 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.318 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -61.44 -34.78 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.918 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 mt -59.68 -47.56 85.13 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.143 0.497 . . . . 1.0 109.996 -179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' LEU . 25.5 ttpt -69.42 -25.67 64.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.176 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.4 -55.61 14.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.656 0.613 . . . . 1.0 112.656 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -77.78 -30.45 51.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.157 -1.017 . . . . 1.0 109.867 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.7 mt . . . . . 0 C--O 1.223 -0.335 0 C-N-CA 119.83 -0.748 . . . . 1.0 109.821 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 N--CA 1.497 1.717 0 CA-C-O 120.807 0.253 . . . . 1.0 111.719 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -122.85 137.94 54.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.063 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.403 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -67.99 137.51 92.23 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.745 -179.191 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 17' ' ' THR . 60.0 Cg_endo . . . . . 0 N--CA 1.494 1.518 0 C-N-CA 121.8 1.667 . . . . 1.0 112.02 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.079 0.466 . . . . 1.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -61.12 -41.93 97.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.003 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.68 -44.32 86.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.626 0.727 . . . . 1.0 111.032 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.694 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 38' ' ' TYR . 45.6 tttm -64.08 -42.19 97.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.509 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.26 82.2 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.041 0.448 . . . . 1.0 110.035 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.45 -42.18 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.326 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.73 -44.46 96.86 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.205 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -63.7 -44.72 92.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.762 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 63' ' ' TYR . 8.3 p -69.97 -35.52 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.171 -0.612 . . . . 1.0 110.794 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 15.5 m -56.95 -50.62 72.05 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.982 0.896 . . . . 1.0 109.38 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -63.56 -40.26 96.53 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.539 -0.864 . . . . 1.0 109.283 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.6 -42.47 64.59 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.178 -0.609 . . . . 1.0 111.035 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.8 p -65.72 -37.21 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.272 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -39.33 93.31 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.766 -0.773 . . . . 1.0 109.595 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 71.4 mm-40 -69.3 -42.44 75.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.427 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -56.36 -44.71 80.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.696 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' LYS . 37.9 mtmt -67.34 -36.42 81.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.393 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 10.75 1.05 Allowed 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.325 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.7 mmtt 67.96 20.76 9.1 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.36 1.038 . . . . 1.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 2.1 m-20 -95.11 68.56 3.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.0 110.149 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.6 m-85 -56.88 -43.04 80.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.425 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.3 -53.06 61.6 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.136 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.1 tp10 -65.07 -45.78 83.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.224 1.011 . . . . 1.0 109.579 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.9 94.37 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 121.615 -0.678 . . . . 1.0 110.431 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.75 -50.14 75.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.569 0.581 . . . . 1.0 112.569 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 11.3 ptm180 -59.58 -40.62 87.98 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.646 -0.821 . . . . 1.0 109.883 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 87.6 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.28 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -60.02 -48.56 81.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.169 0.509 . . . . 1.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.37 -44.28 96.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.673 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -61.07 -49.57 76.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 1.0 110.558 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.3 73.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.8 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.3 t -56.97 -44.83 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.272 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -54.88 -48.83 72.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 1.0 110.412 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 44.2 m-85 -63.15 -39.32 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.524 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 19.8 m-85 -61.41 -49.8 75.42 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.217 0.532 . . . . 1.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.711 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 81.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.679 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -64.97 -25.36 67.84 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.167 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.32 -48.69 26.66 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 112.095 0.406 . . . . 1.0 112.095 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' H ' HG12 ' A' ' 43' ' ' ILE . 6.6 pt -60.66 -32.38 51.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 24.0 mttm . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 113.657 0.984 . . . . 1.0 113.657 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.551 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -52.37 28.71 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.018 -0.673 . . . . 1.0 110.554 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.7 -39.02 64.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -61.07 -43.89 98.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.794 -0.763 . . . . 1.0 110.283 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.499 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.7 mm -66.58 -45.1 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.027 0.442 . . . . 1.0 110.589 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -62.3 -37.79 86.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.906 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.06 -49.74 59.48 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 122.218 1.009 . . . . 1.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' B' ' 172' ' ' GLU . 23.6 mmmt -67.29 -36.32 81.29 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.483 -0.761 . . . . 1.0 110.451 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 19.4 m -55.43 -50.51 69.63 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.009 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.28 -29.73 48.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.693 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -69.14 -47.1 65.96 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.541 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.0 m-85 -61.98 -48.55 79.82 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -59.69 -50.17 74.88 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 119.495 -0.882 . . . . 1.0 109.957 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.8 -46.81 42.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.762 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 21.7 mmm180 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.677 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.9 73.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.469 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.43 -54.96 15.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.453 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.16 -36.94 81.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.138 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 74' ' ' LEU . 43.8 mt -60.44 -49.65 76.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.522 0.677 . . . . 1.0 110.744 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -70.85 -21.95 62.37 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.159 -1.382 . . . . 1.0 111.156 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -69.12 -57.17 5.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 112.664 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.593 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.4 p90 -75.71 -29.29 58.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.811 -0.756 . . . . 1.0 109.81 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt . . . . . 0 N--CA 1.453 -0.276 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.599 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo . . . . . 0 N--CA 1.496 1.637 0 N-CA-C 111.222 -0.338 . . . . 1.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 172' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 59' ' ' LYS . 47.4 tp10 -121.26 124.18 44.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.069 0.462 . . . . 1.0 109.982 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -53.89 135.73 56.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.622 -179.066 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.476 ' HD3' HG22 ' A' ' 17' ' ' THR . 61.1 Cg_endo . . . . . 0 N--CA 1.493 1.487 0 C-N-CA 121.929 1.752 . . . . 1.0 111.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.81 0.338 . . . . 1.0 110.221 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -61.09 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.08 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.99 -45.33 82.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.209 0.528 . . . . 1.0 110.802 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -59.52 -43.8 93.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.542 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.27 -42.8 92.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.347 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.56 -44.04 80.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.84 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.73 -41.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.929 0.871 . . . . 1.0 109.651 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -59.99 -46.29 89.96 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.338 -0.851 . . . . 1.0 110.547 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.14 -43.14 96.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.52 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.7 p -66.9 -38.58 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.56 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.5 m -58.32 -48.7 79.7 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.534 0.683 . . . . 1.0 109.382 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -62.69 -42.14 99.48 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.337 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.7 -43.2 65.46 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.103 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 48.5 p -65.85 -39.63 90.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.84 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.13 -41.37 97.23 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.774 -0.77 . . . . 1.0 110.164 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -65.04 -38.85 92.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.395 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -59.62 -39.42 84.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 23' ' ' LYS . 49.2 mttm -65.38 -41.33 93.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.833 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.46 10.55 1.0 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.6 mmtp 66.6 27.21 9.62 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.362 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.97 67.21 1.92 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.902 0.382 . . . . 1.0 110.224 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.19 -40.09 76.69 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.148 -0.221 . . . . 1.0 110.468 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.48 -52.54 64.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.719 0.295 . . . . 1.0 111.064 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.76 -46.28 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.889 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.63 80.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.27 -46.02 89.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 120.704 0.288 . . . . 1.0 111.049 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.38 -43.42 92.9 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.513 -0.875 . . . . 1.0 110.265 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.9 mt -66.6 -39.67 88.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.958 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -59.9 -49.11 78.98 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.866 0.365 . . . . 1.0 110.863 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.685 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -63.33 -50.75 68.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.596 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.07 73.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.4 t -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.924 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -53.98 -49.32 69.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.49 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.88 -37.97 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.006 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.6 m-85 -60.61 -49.21 78.44 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.586 -0.445 . . . . 1.0 110.39 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 1.0 109.908 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -67.55 -26.73 66.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.305 0.574 . . . . 1.0 110.458 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.33 48.15 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.859 -0.526 . . . . 1.0 111.375 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.4 pt -67.25 -32.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.1 mttt . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.375 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.516 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -50.97 47.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.133 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -53.37 -41.36 65.77 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.106 -0.638 . . . . 1.0 109.737 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -62.39 -43.51 98.66 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.861 -0.736 . . . . 1.0 110.748 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.0 mm -67.55 -45.67 84.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.701 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.58 -58.07 9.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.863 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.8 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.169 0.509 . . . . 1.0 110.207 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.636 ' HZ1' ' CD ' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.166 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -51.8 -37.03 50.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.09 -46.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.627 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.636 ' CD ' ' HZ1' ' A' ' 59' ' ' LYS . 67.2 mt-30 -54.13 -50.07 67.75 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.095 0.474 . . . . 1.0 110.58 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 13' ' ' VAL . 24.5 m-85 -63.05 -48.65 77.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -60.14 -47.59 85.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.556 -0.858 . . . . 1.0 110.408 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.86 -44.66 63.76 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.039 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 21.0 mmm180 -61.88 -43.56 98.6 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.765 -0.774 . . . . 1.0 109.365 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.57 81.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.384 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.66 -54.9 28.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.618 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.94 -36.52 81.64 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.197 -0.601 . . . . 1.0 110.279 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 22.1 mt -61.16 -48.87 79.6 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.189 0.518 . . . . 1.0 110.164 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -70.99 -23.86 62.28 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.428 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -66.54 -56.03 12.73 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 112.947 0.721 . . . . 1.0 112.947 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.605 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.9 p90 -77.79 -28.73 50.5 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 119.407 -0.917 . . . . 1.0 109.98 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' A' ' 25' ' ' TYR . 17.2 mt . . . . . 0 C--N 1.33 -0.243 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.78 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.498 1.777 0 CA-C-O 120.942 0.309 . . . . 1.0 112.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -105.82 127.3 53.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.079 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -56.88 141.64 74.66 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.626 -179.035 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo . . . . . 0 N--CA 1.495 1.567 0 C-N-CA 122.353 2.035 . . . . 1.0 111.843 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.005 0.431 . . . . 1.0 110.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.06 -44.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.448 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -42.17 86.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.406 . . . . 1.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -56.61 -45.88 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.699 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.36 -39.52 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.625 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.48 -48.07 80.19 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.564 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.0 mt -62.64 -41.12 90.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 121.76 0.79 . . . . 1.0 109.537 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -60.57 -43.12 97.65 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.632 -0.668 . . . . 1.0 110.53 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.675 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.76 -38.58 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.982 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.9 m -57.25 -49.87 74.69 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.6 ttpt -65.01 -41.02 95.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.24 65.08 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 14' ' ' THR . 26.2 p -65.43 -38.6 90.36 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.927 0.394 . . . . 1.0 110.92 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.07 -39.18 89.86 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.142 -0.623 . . . . 1.0 110.568 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.87 -40.33 87.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.45 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 15.9 t70 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.861 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 23' ' ' LYS . 52.9 mttt -65.1 -39.26 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.43 11.31 1.02 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.795 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.4 mmtt 66.93 26.93 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.59 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.528 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -97.61 67.26 2.03 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.426 0.632 . . . . 1.0 110.247 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -56.54 -43.94 80.36 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 122.072 -0.392 . . . . 1.0 110.59 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -59.95 -54.08 50.28 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.608 -0.437 . . . . 1.0 111.281 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 38.0 tt0 -65.32 -46.62 79.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.636 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.8 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.1 tp -58.29 -47.51 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.27 0.357 . . . . 1.0 110.977 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.03 -42.96 86.43 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.627 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 66.0 mt -67.67 -39.07 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.611 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.73 -49.93 75.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.85 -42.94 99.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.696 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -62.21 -49.03 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.612 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.55 -45.72 77.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.786 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.0 t -58.01 -44.77 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.372 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.95 -47.08 78.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.467 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.81 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.1 m-85 -61.67 -50.51 72.21 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.622 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 60.3 mt -62.36 -41.23 98.44 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.795 -0.638 . . . . 1.0 109.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -66.53 -28.65 68.71 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 121.122 0.487 . . . . 1.0 111.215 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.39 60.1 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.134 0.42 . . . . 1.0 112.134 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.7 pt -62.01 -30.65 49.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.6 mtpt . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . . . . . . 0 C--O 1.216 -0.694 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HZ3' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.61 -49.99 55.16 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.146 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -54.33 -39.13 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.298 0.374 . . . . 1.0 110.032 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 52' ' ' ALA . 10.6 t -61.37 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.449 -0.501 . . . . 1.0 109.983 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 11.5 mm -67.85 -44.4 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.023 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -63.74 -38.22 90.29 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.002 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -69.07 -49.49 56.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.899 0.857 . . . . 1.0 110.718 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.3 mmmt -67.43 -36.7 81.76 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.77 -0.581 . . . . 1.0 110.7 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.8 m -55.35 -50.33 69.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.026 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.18 -29.59 47.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.793 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -69.72 -47.4 63.24 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.477 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.9 m-85 -60.88 -48.4 82.0 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.586 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.6 mt -59.33 -50.72 72.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.085 -0.646 . . . . 1.0 109.967 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.845 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 32.7 t0 -46.42 -43.17 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' B' ' 174' ' ' PRO . 12.3 mmm180 -66.13 -45.8 79.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.411 0.624 . . . . 1.0 110.993 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.06 -41.47 92.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.724 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.845 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -62.31 -48.52 79.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.94 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.8 ptmm? -65.22 -36.52 84.42 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.082 0.468 . . . . 1.0 109.87 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.7 mt -61.96 -47.12 86.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -71.83 -22.04 61.6 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.238 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.03 -58.29 4.75 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.858 0.688 . . . . 1.0 112.858 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.0 p90 -75.48 -29.52 59.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.6 mt . . . . . 0 C--O 1.232 0.164 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.489 1.235 0 N-CA-C 111.003 -0.422 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -117.17 142.63 46.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.139 0.495 . . . . 1.0 110.581 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.64 133.38 62.9 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.505 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 58.7 Cg_endo . . . . . 0 C--N 1.311 -1.44 0 C-N-CA 122.453 2.102 . . . . 1.0 111.965 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.854 0.359 . . . . 1.0 110.152 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -61.01 -45.91 92.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.25 -45.16 77.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.108 0.48 . . . . 1.0 110.661 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -57.9 -45.14 86.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.405 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.51 95.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.36 82.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.846 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.59 -41.98 93.82 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-O 122.076 0.941 . . . . 1.0 109.725 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.36 -47.71 84.4 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.838 . . . . 1.0 110.743 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.3 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.489 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.6 p -67.66 -39.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 17' ' ' THR . 6.8 m -57.02 -51.46 69.16 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 121.331 0.586 . . . . 1.0 109.438 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -62.49 -41.0 98.49 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.749 -0.78 . . . . 1.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.95 63.06 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.943 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HD3' ' B' ' 174' ' ' PRO . 62.2 p -66.82 -38.59 86.74 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.601 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.067 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -65.8 -40.57 92.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.07 -40.85 86.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 23' ' ' LYS . 24.0 mttt -65.95 -39.63 90.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.981 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 8.29 1.81 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.689 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 21' ' ' LYS . 69.8 mmtt 68.86 26.11 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -97.83 69.67 2.12 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.347 0.594 . . . . 1.0 109.933 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CD2' ' OH ' ' A' ' 73' ' ' TYR . 3.0 m-85 -57.35 -43.13 83.22 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.87 -52.71 63.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 1.0 111.428 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.76 -45.8 81.18 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.451 -0.499 . . . . 1.0 110.16 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.53 81.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -60.39 -44.98 95.13 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.802 0.334 . . . . 1.0 111.374 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -60.04 -43.39 95.36 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.988 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.73 -39.37 87.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.042 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -59.87 -48.52 81.36 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.724 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.31 -41.39 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.934 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -64.51 -51.17 64.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.28 -46.3 72.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 64' ' ' LEU . 45.4 t -58.5 -43.79 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.147 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.85 -49.84 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.574 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.27 -37.35 86.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.925 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.6 m-85 -60.29 -49.15 78.73 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.619 -0.433 . . . . 1.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.11 -38.96 93.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.999 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -67.76 -29.1 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.484 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.0 59.64 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 121.949 -0.469 . . . . 1.0 111.552 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.82 -32.67 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.284 -0.566 . . . . 1.0 112.514 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 CA--C 1.504 -0.792 0 N-CA-C 113.065 0.765 . . . . 1.0 113.065 -179.167 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -53.07 27.9 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.654 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -54.21 -39.92 67.16 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.52 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -61.2 -43.81 98.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.14 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -67.85 -44.29 85.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-O 120.988 0.423 . . . . 1.0 110.546 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.7 -58.34 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.326 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.56 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.215 0.531 . . . . 1.0 110.518 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.4 mmmm -63.22 -42.77 99.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 m -52.38 -38.92 60.06 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.41 -48.02 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.421 -0.512 . . . . 1.0 109.807 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -55.63 -47.45 76.58 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.58 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.554 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 27.3 m-85 -62.11 -50.31 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -59.96 -47.48 85.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.792 -0.763 . . . . 1.0 110.128 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -51.31 -45.27 62.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.276 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -61.35 -44.39 97.25 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.753 -0.779 . . . . 1.0 109.427 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.88 -36.21 80.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.276 -0.57 . . . . 1.0 110.684 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.29 -54.47 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -61.39 -35.48 77.64 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.887 -0.725 . . . . 1.0 109.851 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 74' ' ' LEU . 23.8 mt -60.51 -46.43 90.17 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.181 0.515 . . . . 1.0 109.892 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' LEU . 32.1 ttmt -71.04 -24.82 62.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.055 -0.975 . . . . 1.0 110.878 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.55 -56.4 12.5 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.71 0.634 . . . . 1.0 112.71 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' OH ' ' CD2' ' A' ' 25' ' ' TYR . 13.7 p90 -77.62 -31.18 52.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 119.331 -0.947 . . . . 1.0 110.565 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 70' ' ' LEU . 19.3 mt . . . . . 0 N--CA 1.468 0.444 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.1 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.499 1.85 0 CA-C-O 120.911 0.296 . . . . 1.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -111.39 133.11 53.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.764 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.31 141.25 96.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.911 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.431 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.8 Cg_endo . . . . . 0 N--CA 1.493 1.469 0 C-N-CA 121.972 1.781 . . . . 1.0 111.59 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 120.943 0.401 . . . . 1.0 109.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -60.5 -46.77 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.33 -41.91 84.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.361 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.247 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.71 -42.19 92.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.066 -0.653 . . . . 1.0 110.081 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.5 mt -65.0 -41.59 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.906 0.86 . . . . 1.0 110.121 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.39 -44.35 97.3 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.426 -0.796 . . . . 1.0 110.547 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 38' ' ' TYR . 49.8 mt -64.75 -43.42 93.39 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.627 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.3 p -68.24 -36.86 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 17' ' ' THR . 95.4 m -58.92 -47.9 83.39 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.409 0.623 . . . . 1.0 109.495 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -64.1 -42.38 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.184 -0.606 . . . . 1.0 109.59 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.23 -42.69 63.81 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.953 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.3 p -66.92 -37.24 83.98 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.588 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.87 -41.05 92.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.904 -0.719 . . . . 1.0 110.057 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -40.25 87.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.005 0.431 . . . . 1.0 110.713 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.45 -41.63 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.68 -39.37 91.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.122 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 10.89 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' LYS . 27.3 mmtp 67.14 22.09 9.91 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.036 0.835 . . . . 1.0 110.562 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.89 66.87 3.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.19 0.519 . . . . 1.0 110.245 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.7 m-85 -56.73 -40.91 76.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.508 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -60.62 -52.57 64.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.31 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -66.38 -46.67 75.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.77 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.67 -47.14 85.5 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.717 0.294 . . . . 1.0 110.833 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.616 -0.834 . . . . 1.0 110.289 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 58.5 mt -66.05 -40.02 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -59.61 -49.84 76.2 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.871 0.367 . . . . 1.0 110.907 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.92 -43.57 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.626 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -62.46 -51.55 67.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.632 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.06 68.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.694 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.7 t -58.25 -43.96 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.458 -0.497 . . . . 1.0 110.012 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -53.68 -49.63 67.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.606 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 57.1 m-85 -62.98 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.941 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -60.92 -50.69 72.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.55 . . . . 1.0 110.176 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.786 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 69.6 mt -62.72 -42.8 99.84 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.097 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -64.63 -28.52 69.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.146 0.498 . . . . 1.0 111.264 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.84 59.21 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 8.0 pt -62.79 -31.93 54.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 112.183 0.438 . . . . 1.0 112.183 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.786 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.0 mtpt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 112.9 0.704 . . . . 1.0 112.9 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 110.09 -0.337 . . . . 1.0 110.09 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.9 mptp? -48.38 -56.37 8.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.516 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 55' ' ' SER . 7.8 pt-20 -52.47 -41.55 63.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.152 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 34.9 t -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.032 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.4 mm -66.83 -44.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.447 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.13 -58.41 8.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.54 -51.54 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.101 0.477 . . . . 1.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -62.24 -41.98 98.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.45 -40.27 62.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.41 -48.4 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.101 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -54.22 -47.43 72.17 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.365 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.6 m-85 -62.66 -49.23 75.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.367 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.9 mt -59.9 -48.75 80.42 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.568 -0.853 . . . . 1.0 110.255 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -50.34 -44.76 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 1.0 110.101 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.8 mmm180 -61.84 -44.32 97.07 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.932 -0.707 . . . . 1.0 109.375 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.76 75.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.78 -54.92 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.32 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.082 -0.647 . . . . 1.0 110.382 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 74' ' ' LEU . 27.6 mt -61.1 -49.08 78.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.19 0.519 . . . . 1.0 110.007 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -71.26 -22.22 62.0 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.189 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -68.14 -57.09 6.62 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.581 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.6 p90 -77.25 -29.01 53.81 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.693 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 25' ' ' TYR . 21.0 mt . . . . . 0 C--N 1.331 -0.221 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.656 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.497 1.706 0 CA-C-O 120.799 0.249 . . . . 1.0 111.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -107.57 134.86 49.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.094 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.42 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -58.77 139.41 86.43 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.817 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.472 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.3 Cg_endo . . . . . 0 N--CA 1.495 1.614 0 C-N-CA 121.816 1.677 . . . . 1.0 112.114 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 1.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 m -62.12 -45.7 92.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.498 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.66 -42.18 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.716 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -57.72 -42.27 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.593 . . . . 1.0 109.598 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -64.41 -41.12 96.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.26 -41.62 89.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.026 0.441 . . . . 1.0 110.431 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.1 mt -66.35 -43.53 91.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 121.881 0.848 . . . . 1.0 109.724 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -58.18 -48.36 80.55 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.639 -0.663 . . . . 1.0 110.216 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.65 -43.02 97.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.619 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -65.75 -40.47 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.757 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.53 ' O ' ' OG1' ' A' ' 17' ' ' THR . 55.5 m -57.49 -50.61 72.5 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 tppt? -59.99 -41.5 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.4 -45.07 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.784 0.326 . . . . 1.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.5 p -63.24 -41.94 99.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.131 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.3 pt-20 -62.96 -39.45 94.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.542 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 72.0 mm-40 -66.61 -39.56 88.4 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 27.7 t0 -60.06 -38.02 81.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.836 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -66.42 -40.15 89.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.901 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 8.73 2.68 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.534 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp 68.13 29.45 6.21 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.553 0.533 . . . . 1.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -99.92 69.61 1.56 Allowed 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.4 0.619 . . . . 1.0 110.009 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.31 -40.6 78.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.765 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.35 -54.11 48.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.798 0.332 . . . . 1.0 110.953 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.03 -45.42 85.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.84 89.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.294 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.958 -0.297 . . . . 1.0 111.148 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -60.95 -41.85 97.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.666 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 35.0 mt -68.35 -39.25 81.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.534 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -59.52 -49.2 78.71 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.892 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.03 -40.34 97.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -65.36 -50.2 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.533 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.2 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.459 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.514 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.4 t -57.49 -43.07 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.639 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -54.8 -50.11 69.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.857 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -64.09 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.9 m-85 -60.52 -49.44 77.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.94 -36.07 82.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.293 0.568 . . . . 1.0 110.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -70.95 -26.55 63.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.81 55.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.327 0.584 . . . . 1.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 pt -68.29 -32.24 54.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 112.657 0.614 . . . . 1.0 112.657 -179.317 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -48.02 78.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.474 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -57.0 -36.11 70.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.272 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -64.52 -42.59 95.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.028 0.442 . . . . 1.0 110.262 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.3 mm -68.26 -46.38 81.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.291 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -60.32 -58.87 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.212 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.79 61.07 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.081 0.467 . . . . 1.0 110.586 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -62.38 -42.64 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 m -52.86 -40.42 63.41 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.98 -47.81 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -55.99 -46.87 78.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -62.84 -50.71 69.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.135 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.5 mt -59.54 -48.7 80.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.773 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.21 -46.52 62.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.613 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 12.3 mmm180 -59.72 -45.23 92.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.079 0.466 . . . . 1.0 110.168 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.75 90.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.281 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.84 -55.03 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.073 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.613 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 5.5 pttm -61.67 -37.27 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.515 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.1 mt -59.15 -49.26 78.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -72.64 -23.16 60.87 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.335 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.72 -56.8 10.14 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.2 p90 -78.21 -28.43 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.686 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.5 mt . . . . . 0 C--N 1.332 -0.173 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo . . . . . 0 N--CA 1.493 1.498 0 CA-C-O 120.87 0.279 . . . . 1.0 112.09 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.29 129.13 53.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.388 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.29 136.35 30.63 Favored Pre-proline 0 N--CA 1.451 -0.403 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.912 -179.262 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.415 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.1 Cg_endo . . . . . 0 C--N 1.31 -1.471 0 C-N-CA 122.269 1.979 . . . . 1.0 112.713 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.935 0.397 . . . . 1.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 1.0 109.984 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.52 -43.93 88.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.192 0.52 . . . . 1.0 110.79 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -61.02 -45.14 95.99 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.572 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.414 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.73 -43.95 81.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.843 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.85 -41.85 94.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.295 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -61.51 -46.07 91.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.329 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.94 -44.92 94.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.431 -0.349 . . . . 1.0 111.423 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.92 -34.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 17' ' ' THR . 51.6 m -58.16 -49.95 75.2 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.616 0.722 . . . . 1.0 109.198 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -40.62 98.18 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.722 -0.791 . . . . 1.0 109.395 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.1 65.62 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.461 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.9 p -66.11 -37.46 85.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.519 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -41.18 93.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.655 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.0 -41.28 91.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.649 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.6 -41.49 85.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.64 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.6 mttt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.232 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 13.63 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.619 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' LYS . 71.6 mmtt 64.62 30.27 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.333 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -104.05 69.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.288 0.566 . . . . 1.0 109.63 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.2 m-85 -56.83 -45.17 82.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.554 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.7 -53.68 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.572 -0.451 . . . . 1.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 40.0 tt0 -63.21 -45.26 92.52 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.241 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.27 81.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -59.91 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.692 0.282 . . . . 1.0 110.973 -179.305 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -59.08 -44.33 91.88 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.552 -0.859 . . . . 1.0 109.848 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.1 -40.82 95.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.61 -48.32 82.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.909 0.385 . . . . 1.0 111.118 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -63.34 -44.14 95.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.892 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -60.81 -49.38 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.584 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.18 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.0 t -57.6 -44.45 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.095 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -54.77 -49.33 71.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.319 -0.553 . . . . 1.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.91 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.959 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.6 m-85 -61.24 -49.92 75.15 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.275 0.559 . . . . 1.0 110.939 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 77.1 mt -63.51 -41.11 98.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.6 -37.17 85.22 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.376 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.43 80.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.415 HG22 ' NZ ' ' A' ' 53' ' ' LYS . 15.8 pt -63.91 -34.75 70.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 C-N-CA 119.52 -0.872 . . . . 1.0 111.372 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 55.7 mttm . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HE2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -48.72 -53.39 19.08 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 120.437 -0.505 . . . . 1.0 109.905 -178.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -41.98 63.53 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.646 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.1 t -62.4 -43.73 98.12 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.582 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.86 -44.59 85.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.612 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.76 -40.34 94.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.791 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -67.35 -49.92 62.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.842 0.829 . . . . 1.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -66.7 -36.23 82.0 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.11 -0.636 . . . . 1.0 110.396 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.9 m -55.9 -50.86 69.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.237 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.06 -29.74 48.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.689 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -69.73 -45.69 67.61 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.294 -0.562 . . . . 1.0 110.849 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -62.22 -48.72 78.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.549 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.2 mt -60.75 -49.5 77.24 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.913 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -50.26 -44.98 53.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.171 -0.611 . . . . 1.0 110.063 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.66 -45.22 94.98 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 119.884 -0.727 . . . . 1.0 109.915 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -62.17 -31.68 72.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.962 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.56 -54.83 14.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.676 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.97 -35.64 77.32 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.836 -0.746 . . . . 1.0 109.866 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 25' ' ' TYR . 21.4 mt -59.97 -47.48 85.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.098 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.4 ttpt -71.13 -22.86 62.01 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.058 -0.974 . . . . 1.0 111.449 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.27 -56.65 7.9 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 112.823 0.675 . . . . 1.0 112.823 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.599 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 8.0 p90 -76.37 -30.29 57.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.56 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.0 mt . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 N--CA 1.498 1.752 0 CA-C-O 120.867 0.278 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -107.32 125.01 50.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.96 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -54.07 136.83 57.69 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.024 -179.147 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.461 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.5 Cg_endo . . . . . 0 N--CA 1.495 1.608 0 C-N-CA 122.178 1.919 . . . . 1.0 111.6 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -61.22 -48.17 82.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 1.0 110.368 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.64 -41.93 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.799 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -57.03 -44.94 83.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.7 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -63.5 -39.18 93.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.47 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.28 -43.02 92.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.259 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 13' ' ' VAL . 89.5 mt -65.96 -41.19 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.973 0.892 . . . . 1.0 109.982 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.81 -45.88 92.71 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.278 -0.889 . . . . 1.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.63 -43.11 94.77 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.24 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -66.78 -39.56 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.845 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -58.52 -47.95 82.47 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.565 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' HD23 ' A' ' 31' ' ' LEU . 20.1 ttpt -63.13 -38.25 90.43 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 119.321 -0.951 . . . . 1.0 109.079 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HD3' ' B' ' 174' ' ' PRO . 82.0 p -63.79 -38.86 92.66 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.176 -0.61 . . . . 1.0 110.795 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -39.75 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.456 -0.898 . . . . 1.0 110.17 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 1.0 110.671 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.11 -42.34 76.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 23' ' ' LYS . 20.9 mttt -65.25 -39.87 93.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.681 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.12 11.73 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.793 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 21' ' ' LYS . 42.6 mmtm 65.07 26.93 12.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.205 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.22 66.96 1.83 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.19 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.9 m-85 -55.91 -40.91 73.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.583 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HB3' HH12 ' A' ' 30' ' ' ARG . 64.7 mt-10 -61.51 -53.23 59.06 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.549 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.35 -46.9 78.37 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.24 -0.584 . . . . 1.0 109.864 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.82 -44.72 78.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.202 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 tp -58.32 -46.51 86.04 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 26' ' ' GLU . 83.0 mtt85 -57.17 -47.74 80.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.573 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mp -62.97 -39.52 94.95 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.618 0.246 . . . . 1.0 111.503 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -60.31 -50.17 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.802 -0.759 . . . . 1.0 110.682 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.86 -42.99 99.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.569 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -63.31 -50.69 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -50.16 57.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.59 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.5 t -57.43 -44.15 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.426 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.972 0.415 . . . . 1.0 110.691 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.09 -38.42 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.9 m-85 -61.11 -47.61 85.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.04 0.448 . . . . 1.0 110.267 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.428 0.632 . . . . 1.0 109.658 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -69.42 -22.8 63.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.097 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.46 29.94 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.334 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 13.3 pt -66.1 -31.84 55.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 120.136 -0.626 . . . . 1.0 111.705 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 112.777 0.658 . . . . 1.0 112.777 179.652 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.289 -0.263 . . . . 1.0 110.289 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -49.08 -52.29 26.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.261 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -52.62 -42.04 64.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.798 -0.761 . . . . 1.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 t -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.894 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 10.5 mm -66.45 -45.2 89.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 120.731 -0.387 . . . . 1.0 110.647 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.88 -58.26 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.054 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.61 -52.9 35.15 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -62.42 -40.53 96.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 16.6 m -52.82 -40.46 63.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.78 -48.31 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.286 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -53.91 -46.52 71.47 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.333 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.1 m-85 -63.13 -48.51 78.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.476 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.59 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.0 mt -60.09 -49.15 78.79 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.461 -0.896 . . . . 1.0 110.328 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -50.67 -45.12 57.91 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.196 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.48 -43.89 98.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 119.784 -0.767 . . . . 1.0 109.549 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.95 78.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.635 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.23 -54.78 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.561 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -36.6 80.39 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.953 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.25 -48.94 79.14 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.351 0.596 . . . . 1.0 110.138 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.895 -1.048 . . . . 1.0 111.505 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.91 -56.33 9.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.857 0.688 . . . . 1.0 112.857 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.2 p90 -77.86 -27.91 49.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 118.876 -1.129 . . . . 1.0 109.46 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.5 mt . . . . . 0 C--N 1.322 -0.629 0 C-N-CA 119.266 -0.974 . . . . 1.0 109.681 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.494 1.531 0 CA-C-O 120.945 0.31 . . . . 1.0 111.397 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.81 130.59 56.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.991 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 173' ' ' VAL . . . . . 0.418 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -65.25 137.57 96.88 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.794 -179.237 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.43 ' HD3' HG22 ' A' ' 17' ' ' THR . 72.5 Cg_endo . . . . . 0 N--CA 1.495 1.597 0 C-N-CA 121.869 1.712 . . . . 1.0 112.112 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.068 0.461 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.254 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 6' ' ' LEU . 35.1 tp -64.15 -43.76 94.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.781 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -55.07 -46.63 75.43 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.236 -0.654 . . . . 1.0 109.236 179.764 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -59.45 -40.66 87.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.949 -0.76 . . . . 1.0 108.949 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.9 -50.5 72.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.357 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.626 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.8 mt -64.61 -42.78 96.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 121.874 0.845 . . . . 1.0 109.723 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.66 -47.42 85.68 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.167 -0.958 . . . . 1.0 110.438 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.11 -42.92 96.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.268 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.5 p -64.08 -38.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.385 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 17' ' ' THR . 71.2 m -58.84 -45.37 90.2 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.029 -0.73 . . . . 1.0 109.029 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -42.07 98.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.182 -0.673 . . . . 1.0 109.182 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.34 -45.39 65.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.757 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.447 HG22 ' HD3' ' B' ' 174' ' ' PRO . 81.9 p -63.69 -40.41 96.73 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.899 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.89 -41.41 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.927 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 69.6 mm-40 -67.69 -41.28 83.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.023 0.44 . . . . 1.0 110.489 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.87 -41.16 86.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.882 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -65.84 -39.97 91.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.707 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 5.84 3.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.649 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt 70.25 26.87 4.25 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.938 0.774 . . . . 1.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.549 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -96.65 69.0 2.49 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.206 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.2 m-85 -56.89 -40.81 76.91 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.235 -0.291 . . . . 1.0 110.562 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.61 -53.82 51.16 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.13 0.49 . . . . 1.0 110.814 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 4.5 tp10 -65.26 -50.25 66.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.057 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.68 51.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.168 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 67' ' ' ALA . 11.0 tp -59.96 -43.03 95.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.719 0.295 . . . . 1.0 110.488 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 96.1 mtt180 -58.54 -46.03 87.66 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.624 -0.831 . . . . 1.0 110.58 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 31' ' ' LEU . 3.2 mm? -66.13 -39.28 89.75 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.665 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.54 -50.36 73.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.543 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.99 -41.35 99.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.538 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 30' ' ' ARG . 19.7 m80 -64.45 -51.6 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.82 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.01 -50.09 62.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.633 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 64' ' ' LEU . 55.1 t -57.55 -44.0 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.487 -178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.16 -49.86 68.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.74 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.87 -37.88 89.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.104 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 11.5 m-85 -61.58 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.012 0.434 . . . . 1.0 110.673 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.59 -38.89 91.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.45 0.643 . . . . 1.0 109.782 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.61 -35.72 81.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.265 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.486 0.66 . . . . 1.0 111.835 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.414 HG12 ' H ' ' A' ' 43' ' ' ILE . 10.0 pt -65.28 -34.33 69.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 119.549 -0.86 . . . . 1.0 111.509 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 112.636 0.606 . . . . 1.0 112.636 179.556 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.218 -0.603 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -55.02 40.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.377 . . . . 1.0 111.721 -178.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.78 -36.35 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.132 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.081 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 52' ' ' ALA . 15.5 mm -65.09 -47.25 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.394 -0.522 . . . . 1.0 111.002 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -56.42 -57.24 13.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.169 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.69 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.704 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -59.88 -42.94 94.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.845 -179.128 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.86 -41.31 64.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.46 -0.791 . . . . 1.0 109.559 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.49 -49.17 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.929 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.27 -46.54 76.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.483 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.7 m-85 -63.13 -50.46 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -59.91 -47.56 85.26 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.535 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -52.21 -47.2 65.74 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.421 -0.511 . . . . 1.0 110.268 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.86 -44.44 94.13 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.75 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 29' ' ' LEU . . . -62.43 -38.88 91.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.545 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.62 -54.59 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.425 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -60.97 -34.76 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.039 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.97 -47.72 85.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.2 0.524 . . . . 1.0 110.119 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -69.5 -26.52 64.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.597 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.66 -55.91 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.874 0.694 . . . . 1.0 112.874 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.1 p90 -77.9 -30.45 50.68 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.437 -0.905 . . . . 1.0 110.448 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.3 mt . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.498 1.748 0 CA-C-O 120.897 0.29 . . . . 1.0 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -101.02 147.88 25.69 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.525 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.91 135.85 44.92 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.92 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 174' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.4 Cg_endo . . . . . 0 N--CA 1.494 1.545 0 C-N-CA 121.953 1.769 . . . . 1.0 111.943 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.9 m . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.852 0.358 . . . . 1.0 110.71 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -60.99 153.04 26.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.413 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -61.65 -43.87 98.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.206 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.51 -43.0 95.45 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.44 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.23 -43.62 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -63.12 -41.55 99.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.8 -47.94 79.08 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.327 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 13' ' ' VAL . 85.6 mt -63.84 -42.43 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.052 0.929 . . . . 1.0 109.712 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -58.88 -48.54 81.05 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.325 -0.859 . . . . 1.0 110.575 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.97 -42.5 97.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.454 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -66.84 -40.13 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 1.0 110.609 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 m -56.56 -51.75 67.4 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 1.0 109.102 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.8 ttpt -61.01 -41.58 96.83 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.188 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.6 -43.9 62.65 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 ' HD3' ' B' ' 174' ' ' PRO . 63.3 p -64.86 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.653 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -63.39 -38.91 92.98 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.024 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.76 -40.62 84.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.85 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 41.5 t0 -58.86 -41.33 86.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.723 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 23' ' ' LYS . 23.2 mttt -66.29 -39.44 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.18 8.3 1.73 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.489 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.0 mmtt 68.33 29.35 5.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.14 69.38 1.15 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.759 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.54 -40.04 77.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.432 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -54.16 44.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.991 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -63.88 -45.14 90.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.418 -0.513 . . . . 1.0 109.782 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.49 90.97 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.218 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.79 -45.73 91.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.325 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 30' ' ' ARG . 36.1 mtp-105 -60.25 -43.58 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.682 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 67.8 mt -67.33 -38.89 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.614 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.26 -47.75 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 1.0 110.604 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.45 -40.27 96.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.361 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.603 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.27 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.242 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.9 t -57.13 -43.33 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.633 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -54.91 -49.13 72.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.989 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.45 -38.69 91.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.648 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -60.89 -48.49 81.56 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.128 0.49 . . . . 1.0 110.593 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.39 -37.85 88.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.496 0.665 . . . . 1.0 110.065 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 45' ' ' TYR . 16.6 t60 -67.61 -31.15 70.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.572 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.669 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -68.25 -47.11 68.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.722 0.772 . . . . 1.0 111.683 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 10.1 pt -66.16 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.995 -0.682 . . . . 1.0 111.804 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.33 -49.82 9.61 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.795 0.665 . . . . 1.0 112.795 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CG ' ' NE2' ' A' ' 41' ' ' HIS . 20.1 m-85 -86.35 -15.99 38.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.417 -0.811 . . . . 1.0 112.201 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 84.1 mt-10 -120.72 149.65 42.19 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 109.287 -0.635 . . . . 1.0 109.287 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -95.35 140.65 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.749 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 96.8 m-70 -159.24 155.51 27.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.565 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -57.02 166.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.25 0.547 . . . . 1.0 110.963 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.51 -52.24 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.328 -0.549 . . . . 1.0 109.852 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -52.26 -33.9 43.88 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.21 -54.76 24.55 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.732 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.7 mptp? -53.84 -49.9 67.4 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.473 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.02 -39.21 68.87 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -62.23 -44.4 96.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.324 -0.551 . . . . 1.0 110.004 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -67.61 -45.06 85.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.293 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.46 -36.68 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.857 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.31 -50.68 36.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.058 0.932 . . . . 1.0 110.766 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -66.82 -36.46 82.42 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.787 -0.571 . . . . 1.0 110.335 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.3 m -56.48 -50.78 70.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.214 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -63.34 -28.99 46.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.663 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -71.09 -46.36 61.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.509 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.7 m-85 -62.82 -48.17 80.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.585 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.4 mt -60.35 -49.83 76.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.06 -0.656 . . . . 1.0 110.445 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.73 -45.78 49.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.536 -0.466 . . . . 1.0 109.852 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HG3' HG11 ' B' ' 173' ' ' VAL . 18.9 mmm180 -61.25 -44.06 97.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.422 0.629 . . . . 1.0 109.627 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.77 81.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.205 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.33 -55.59 23.34 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.333 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.26 -37.1 81.92 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.45 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.4 mt -60.1 -47.97 83.66 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.417 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -72.65 -22.81 60.88 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.193 -0.912 . . . . 1.0 110.7 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.81 -56.66 9.44 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.673 0.619 . . . . 1.0 112.673 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.7 p90 -76.72 -29.28 56.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.297 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.7 mt -61.03 -46.97 88.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.21 -0.596 . . . . 1.0 109.441 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 179.092 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 120.832 0.349 . . . . 1.0 110.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.97 109.65 12.69 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.273 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 8.2 mt -103.99 161.28 23.42 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.019 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -89.26 166.56 5.45 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.285 1.99 . . . . 1.0 111.898 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -115.32 126.32 54.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.291 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.472 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.34 143.12 19.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.772 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.467 ' HD3' HG22 ' A' ' 17' ' ' THR . 59.6 Cg_endo -75.67 120.56 5.91 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.121 1.881 . . . . 1.0 111.808 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 30.8 t -81.69 84.29 6.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 1.0 110.079 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -87.33 166.15 27.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.47 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -92.19 49.28 0.54 Allowed 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 122.663 2.242 . . . . 1.0 111.934 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.62 ' H ' HD12 ' B' ' 178' ' ' LEU . 0.1 OUTLIER -88.54 156.42 50.58 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.129 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo . . . . . 0 C--N 1.306 -1.661 0 C-N-CA 122.245 1.963 . . . . 1.0 112.327 179.539 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.912 0.387 . . . . 1.0 110.448 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t -56.29 148.82 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.405 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.86 -40.73 94.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.106 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.23 -45.52 84.33 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.076 0.465 . . . . 1.0 110.743 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -58.73 -43.4 90.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.359 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -64.25 -44.26 92.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.657 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.26 -46.6 79.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.238 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.98 -42.65 96.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-O 121.927 0.87 . . . . 1.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.24 -47.92 82.02 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 121.567 -0.708 . . . . 1.0 110.682 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.46 -44.08 95.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.34 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.4 p -67.09 -39.51 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.777 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.4 m -56.81 -51.54 68.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.418 0.628 . . . . 1.0 109.398 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.3 ttpt -62.65 -41.2 98.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.445 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.05 -43.54 63.82 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.404 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 14' ' ' THR . 38.0 p -65.46 -38.83 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.737 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -65.66 -37.41 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.661 . . . . 1.0 110.288 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.69 -40.55 76.29 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.591 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.33 -41.34 88.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.166 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.3 mttt -66.1 -38.81 89.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.041 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 9.88 1.43 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.57 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 40.7 mmtm 67.25 27.66 8.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.767 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.18 68.4 1.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 1.0 109.903 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.5 m-85 -56.85 -42.81 80.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 81.0 mt-10 -59.74 -55.34 35.56 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.266 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -63.55 -45.37 90.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.334 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.22 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.262 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 37.6 tp -58.25 -46.51 85.84 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 121.019 -0.272 . . . . 1.0 111.147 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -59.33 -42.94 92.65 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.476 -178.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 54.1 mt -68.05 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.462 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.36 -49.34 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.56 -42.31 98.35 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.666 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -63.95 -50.12 69.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.728 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.67 71.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.621 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG21 ' HG ' ' A' ' 64' ' ' LEU . 37.1 t -57.31 -43.0 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.342 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -55.67 -48.59 74.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -62.7 -38.99 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.569 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.9 m-85 -61.68 -51.17 69.54 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.111 0.481 . . . . 1.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.43 -38.75 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.778 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 48.1 t-80 -66.05 -34.1 77.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.497 0.665 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.712 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.24 -46.7 79.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.804 0.812 . . . . 1.0 111.565 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -66.95 -33.59 64.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.527 -0.469 . . . . 1.0 111.595 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -83.56 -50.97 7.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.229 0.538 . . . . 1.0 112.124 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.778 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 45.1 m-85 -85.67 -16.92 37.55 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.764 -0.653 . . . . 1.0 112.34 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.712 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 76.0 mt-10 -121.79 143.14 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -89.15 147.73 24.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.683 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 96.2 m-70 -156.65 -170.69 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.667 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -93.1 147.43 22.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 1.0 110.837 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -47.53 -35.13 8.46 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.309 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.91 -38.88 87.03 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.991 -0.55 . . . . 1.0 109.883 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.29 -56.18 14.14 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -53.92 14.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.609 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.56 -40.58 60.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.029 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -63.99 -42.87 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 52' ' ' ALA . 14.7 mm -66.92 -46.58 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.501 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.61 -59.25 5.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 1.0 110.251 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.28 45.8 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.956 0.408 . . . . 1.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 17.6 mmmt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.51 -40.6 62.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.729 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.13 -48.55 83.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 1.0 109.838 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -54.66 -46.37 73.99 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.496 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.48 -51.04 69.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.999 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.8 mt -58.89 -51.24 70.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.268 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -47.33 -47.81 25.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.233 -0.284 . . . . 1.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 31.3 mmm-85 -59.68 -44.61 93.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.41 0.624 . . . . 1.0 110.09 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.93 -37.14 81.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.485 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.55 -56.18 15.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -59.18 -36.96 76.25 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 120.84 0.352 . . . . 1.0 110.308 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.8 mt -60.18 -47.37 86.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.559 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -72.17 -23.25 61.25 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.43 -0.805 . . . . 1.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.46 -57.34 7.57 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.454 0.645 . . . . 1.0 112.698 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.61 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -78.12 -27.99 48.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.408 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt -61.74 -49.69 75.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 . . . . . 0 C--O 1.235 0.336 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.241 179.549 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.831 0.348 . . . . 1.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.67 108.08 14.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.602 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.66 163.49 18.86 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.748 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 171' ' ' PRO . . . . . 0.43 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 33.8 Cg_endo -87.93 156.78 7.28 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.324 2.016 . . . . 1.0 112.217 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 172' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' B' ' 173' ' ' VAL . 11.9 tm-20 -100.24 125.73 46.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.664 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.406 ' O ' ' OE2' ' B' ' 172' ' ' GLU . 0.0 OUTLIER -53.47 134.29 53.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.929 -179.366 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.449 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.8 Cg_endo -71.16 152.19 61.75 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.399 2.066 . . . . 1.0 112.34 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 16.3 m -112.86 86.9 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.84 170.58 12.52 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.509 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -85.69 19.77 1.34 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.416 2.077 . . . . 1.0 112.35 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 179' ' ' PRO . 1.8 pp -45.84 137.7 5.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.476 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.433 ' C ' ' O ' ' B' ' 178' ' ' LEU . 60.3 Cg_exo . . . . . 0 C--N 1.314 -1.266 0 C-N-CA 122.527 2.151 . . . . 1.0 112.451 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.005 0.431 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 m -62.32 150.53 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -61.59 -43.1 99.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.023 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.07 -45.5 85.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.237 0.541 . . . . 1.0 110.74 -179.252 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -59.16 -41.95 89.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.379 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -43.78 91.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.7 -46.18 84.7 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.287 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.5 mt -63.08 -42.18 95.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-O 121.99 0.9 . . . . 1.0 109.609 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.15 -48.5 81.39 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.205 -0.934 . . . . 1.0 110.635 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.27 -42.99 99.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.306 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.7 p -66.53 -39.82 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.613 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 16.4 m -57.16 -51.8 67.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.65 0.738 . . . . 1.0 109.354 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -61.03 -40.8 94.98 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.7 -0.8 . . . . 1.0 108.952 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.24 64.41 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.389 -0.525 . . . . 1.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 45.6 p -64.53 -41.32 96.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.907 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -40.66 96.75 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.257 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.97 -0.559 . . . . 1.0 109.803 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.13 -39.29 85.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.913 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 23' ' ' LYS . 56.3 mttt -66.16 -39.91 90.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 1.0 109.862 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 9.89 1.48 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.762 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.5 mmtt 66.61 28.41 9.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.677 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.71 69.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.319 0.581 . . . . 1.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.72 -40.64 84.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.2 -53.09 61.28 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.428 -0.509 . . . . 1.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.97 -45.36 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.94 90.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.35 -45.63 90.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.086 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.87 -44.28 94.27 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.541 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.9 mt -66.33 -38.93 88.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.773 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.36 -48.25 82.34 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.728 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.35 -41.19 98.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.556 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -64.38 -49.59 71.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -52.03 -49.2 63.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.091 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.6 t -57.73 -43.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.377 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.66 -49.51 70.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.748 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.57 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.619 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.3 m-85 -61.41 -48.63 80.34 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.434 0.635 . . . . 1.0 110.669 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.866 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 84.2 mt -63.01 -40.08 96.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.636 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.6 t60 -64.4 -36.44 84.15 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.24 0.543 . . . . 1.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -64.43 -46.57 82.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.323 0.582 . . . . 1.0 112.482 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' H ' HG12 ' A' ' 43' ' ' ILE . 15.3 pt -63.46 -33.17 59.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 121.566 -0.709 . . . . 1.0 111.775 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 17.0 mtpt -84.99 -45.95 11.67 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.821 0.675 . . . . 1.0 112.821 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 70.8 m-85 -90.9 -17.25 26.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.756 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 68.8 mm-40 -121.57 130.8 53.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -80.3 139.49 36.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.024 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 86.3 m-70 -156.75 158.16 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.549 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.565 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 24.4 m -56.72 148.48 20.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.271 0.558 . . . . 1.0 110.291 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.04 -29.83 58.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 1.0 109.834 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.95 -41.3 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.735 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -63.3 -53.47 52.22 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.684 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.691 ' N ' ' HZ2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -47.58 -52.87 16.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 119.831 -0.748 . . . . 1.0 110.727 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.14 -39.78 63.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.867 -0.733 . . . . 1.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -63.84 -43.16 96.98 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.07 -0.652 . . . . 1.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.9 mm -67.69 -46.47 82.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.721 -0.391 . . . . 1.0 110.481 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.33 -58.24 9.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.03 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.07 -50.14 62.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.495 0.664 . . . . 1.0 110.42 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -63.16 -41.82 99.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.2 m -52.42 -38.69 59.71 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.75 -47.81 84.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -55.65 -47.56 76.46 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.529 -0.468 . . . . 1.0 110.277 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.18 -50.22 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.715 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.9 mt -59.72 -48.0 83.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.983 -0.687 . . . . 1.0 110.42 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -51.02 -45.03 61.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 30.5 mmm-85 -60.94 -44.42 97.29 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.57 81.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.457 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -63.87 -54.8 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.299 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.4 ptmt -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.164 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 74' ' ' LEU . 26.7 mt -60.39 -48.44 81.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.537 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -72.03 -23.61 61.41 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.954 -1.021 . . . . 1.0 110.842 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -65.79 -56.27 12.81 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 p90 -78.12 -29.11 48.69 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.268 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.7 mt -60.96 -48.35 82.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.1 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.324 179.116 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 CA--C 1.505 -0.772 0 CA-C-O 121.403 0.621 . . . . 1.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -131.42 117.37 18.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.826 -1.079 . . . . 1.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.37 159.21 48.76 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.917 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -92.44 169.24 2.69 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.362 2.041 . . . . 1.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -110.0 137.44 47.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.166 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.57 138.58 93.68 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.828 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.481 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 72.7 Cg_endo -73.42 158.39 48.15 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.256 1.971 . . . . 1.0 111.86 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 50.1 m -125.51 84.81 2.32 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 109.735 -0.468 . . . . 1.0 109.735 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -86.77 169.06 15.89 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -68.64 47.65 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.122 1.881 . . . . 1.0 111.747 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 179' ' ' PRO . 24.4 mt -60.64 138.44 92.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.47 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 178' ' ' LEU . 75.3 Cg_exo . . . . . 0 N--CA 1.489 1.231 0 C-N-CA 122.149 1.899 . . . . 1.0 112.845 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 120.925 0.393 . . . . 1.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -63.69 152.55 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.348 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.94 -45.39 81.99 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.395 0.616 . . . . 1.0 111.155 -179.517 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.21 -46.83 87.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.797 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -63.06 -43.89 97.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.481 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.35 -43.94 75.48 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.66 -41.54 92.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-O 122.017 0.913 . . . . 1.0 109.447 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -58.5 -47.35 84.39 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.512 -0.742 . . . . 1.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.6 -44.64 93.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.415 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 3.2 p -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.164 0.507 . . . . 1.0 111.204 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.6 m -59.05 -48.28 82.17 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.247 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.5 tppt? -60.31 -40.69 91.48 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.3 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -52.51 -45.83 66.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.513 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.679 HG22 ' HD3' ' B' ' 174' ' ' PRO . 52.9 p -63.33 -38.94 93.09 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.264 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -66.84 -38.29 86.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.91 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' CB ' ' A' ' 24' ' ' ASN . 69.1 mm-40 -70.93 -47.19 60.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.683 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.86 -45.99 74.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.981 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 23' ' ' LYS . 43.1 mtmt -65.76 -36.1 82.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.861 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 8.14 1.79 Allowed 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.28 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.3 mmtp 69.42 31.2 3.88 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.849 0.718 . . . . 1.0 110.726 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' CB ' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -107.99 68.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 1.0 109.771 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 8.0 m-85 -54.55 -42.93 71.53 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -55.2 33.73 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 120.317 -0.553 . . . . 1.0 111.84 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -60.53 -45.26 94.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.05 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.5 81.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.102 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -45.4 93.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.786 -0.366 . . . . 1.0 111.245 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.99 -43.1 95.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.194 -0.602 . . . . 1.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -64.37 -42.53 96.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 122.353 -0.217 . . . . 1.0 111.404 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -60.31 -48.84 80.02 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.766 0.666 . . . . 1.0 111.554 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.64 -45.0 92.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.108 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.41 -48.42 79.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.595 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.69 76.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.637 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 64' ' ' LEU . 43.1 t -55.27 -42.67 67.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.409 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.07 -50.66 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.511 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -62.73 -39.85 95.39 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 1.0 110.703 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -60.82 -48.8 80.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.48 -39.03 93.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.469 0.652 . . . . 1.0 110.214 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 8.0 t60 -68.77 -21.87 64.32 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.615 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -76.07 -49.39 17.62 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 121.342 0.591 . . . . 1.0 111.255 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.0 pt -64.36 -30.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 C-N-CA 120.625 -0.43 . . . . 1.0 111.728 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.09 -48.52 11.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.228 0.537 . . . . 1.0 111.554 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 26.8 m-85 -88.86 -4.17 58.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.724 -0.671 . . . . 1.0 112.119 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.604 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 40.6 mm-40 -129.52 157.16 42.8 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' HIS . . . -82.92 -98.4 0.05 OUTLIER 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.414 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 80.2 m-70 85.97 178.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.401 1.063 . . . . 1.0 109.817 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -88.22 176.37 7.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.03 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.89 -49.73 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.839 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -62.4 -26.21 68.35 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.572 ' HB1' ' CD1' ' B' ' 168' ' ' ILE . . . -69.9 -50.26 44.05 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -58.49 -47.95 82.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.95 -0.3 . . . . 1.0 110.441 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -58.18 -35.61 71.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.068 0.461 . . . . 1.0 110.135 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.525 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 8.9 mm -69.3 -44.58 80.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.984 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.16 -41.73 97.03 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.113 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -66.76 -46.24 76.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.847 0.832 . . . . 1.0 110.879 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 1.0 OUTLIER -71.14 -35.67 71.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.311 0.577 . . . . 1.0 110.765 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 9.2 m -56.44 -47.39 79.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.724 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -66.06 -30.53 50.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.763 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -66.09 -44.99 82.79 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.353 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.72 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 26.0 m-85 -67.11 -42.4 84.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.76 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.9 mt -66.71 -28.19 68.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.263 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -69.29 -47.9 63.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.49 HH12 HD11 ' B' ' 178' ' ' LEU . 13.7 mmm180 -64.14 -40.05 95.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.54 0.686 . . . . 1.0 110.049 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.0 85.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -67.53 -56.71 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.444 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.54 -35.7 76.64 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 74' ' ' LEU . 16.0 mt -58.71 -46.68 86.78 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.147 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -72.71 -23.18 60.82 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.699 0.761 . . . . 1.0 109.869 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -66.94 -57.37 7.05 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.138 0.792 . . . . 1.0 113.138 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.5 p90 -77.05 -29.02 54.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.4 mt -62.26 -47.1 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.093 0.473 . . . . 1.0 110.444 179.475 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.572 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 67.2 mt . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 120.879 0.371 . . . . 1.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -132.11 103.04 6.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.769 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.51 163.86 29.05 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.765 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 171' ' ' PRO . . . . . 0.498 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 29.2 Cg_endo -87.29 164.38 8.31 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.343 2.029 . . . . 1.0 111.949 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.03 126.36 51.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.589 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' B' ' 174' ' ' PRO . 0.0 OUTLIER -50.97 144.03 14.45 Favored Pre-proline 0 N--CA 1.443 -0.819 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.758 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.679 ' HD3' HG22 ' A' ' 17' ' ' THR . 7.2 Cg_exo -71.71 156.75 56.86 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.31 2.007 . . . . 1.0 112.137 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 25.2 m -125.04 85.8 2.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.048 0.451 . . . . 1.0 110.42 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -86.97 166.79 24.68 Favored Pre-proline 0 N--CA 1.447 -0.598 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.579 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -67.99 57.09 0.82 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.454 2.103 . . . . 1.0 112.027 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.785 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.5 OUTLIER -126.58 145.17 52.22 Favored Pre-proline 0 C--N 1.333 -0.124 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.126 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.438 ' C ' ' O ' ' B' ' 178' ' ' LEU . 76.6 Cg_exo . . . . . 0 C--N 1.307 -1.641 0 C-N-CA 122.541 2.161 . . . . 1.0 112.349 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 m . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.679 0.276 . . . . 1.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m -59.63 154.7 17.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.121 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -60.87 -45.23 95.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.093 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.41 -42.98 78.19 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.078 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -58.46 -46.48 86.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 1.0 109.709 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -61.39 -37.66 84.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.615 -0.72 . . . . 1.0 109.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.21 -42.23 90.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.482 0.658 . . . . 1.0 110.081 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.0 -41.36 91.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.078 0.942 . . . . 1.0 110.062 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.65 -43.5 96.55 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.271 -0.572 . . . . 1.0 110.558 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.19 -45.02 90.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.722 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 63' ' ' TYR . 9.8 p -69.06 -34.2 62.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.616 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' ' 17' ' ' THR . 98.7 m -58.97 -48.24 82.25 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.837 0.827 . . . . 1.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -63.53 -41.78 98.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.434 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.79 -43.22 62.96 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 41.1 p -66.74 -36.27 82.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.439 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.97 -40.04 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.566 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.12 -42.12 73.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.18 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.28 -44.15 83.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.657 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 23' ' ' LYS . 38.6 mtmt -66.46 -38.32 87.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.773 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 11.91 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 21' ' ' LYS . 15.4 mmmt 66.02 22.64 11.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.526 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.15 69.68 2.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.569 0.699 . . . . 1.0 109.913 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.584 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 2.6 m-85 -55.39 -45.8 76.58 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.747 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.01 -54.1 50.88 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.685 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -63.96 -46.39 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.071 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.69 78.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.513 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -59.16 -46.75 87.56 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.939 -179.154 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -58.49 -42.92 88.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.736 -0.786 . . . . 1.0 110.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.6 mt -66.62 -40.64 88.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 1.0 110.785 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -60.83 -45.38 94.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.481 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -60.01 -49.32 78.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.273 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.66 65.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 64' ' ' LEU . 51.8 t -56.16 -45.64 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.366 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.58 -49.5 72.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.0 110.714 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.3 m-85 -63.74 -40.25 96.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.0 m-85 -61.54 -50.38 72.89 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.377 0.608 . . . . 1.0 110.18 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 81.7 mt -63.16 -42.5 99.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.921 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.622 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 t60 -64.45 -28.04 69.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.199 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -73.49 -46.93 45.11 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 112.185 0.439 . . . . 1.0 112.185 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.41 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.9 pt -59.26 -29.47 41.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 120.143 -0.623 . . . . 1.0 111.198 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.86 -41.4 17.51 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.374 0.509 . . . . 1.0 112.374 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.622 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 39.0 m-85 -95.69 -11.58 26.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.277 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 42' ' ' ALA . 57.9 mm-40 -123.85 32.91 5.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -17.5 84.23 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.367 1.042 . . . . 1.0 111.08 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.803 ' H ' ' HZ1' ' A' ' 53' ' ' LYS . 63.9 m-70 -79.38 -143.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.979 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' H ' ' HB3' ' A' ' 48' ' ' HIS . 1.4 m -103.56 154.51 19.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -48.44 -39.31 22.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -64.13 -42.2 96.92 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.392 0.615 . . . . 1.0 109.832 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -63.39 -55.85 21.05 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.43 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.803 ' HZ1' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -48.11 -53.1 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.08 -0.648 . . . . 1.0 110.743 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -52.59 -41.52 63.71 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.644 -0.822 . . . . 1.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -63.29 -44.05 96.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.591 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.8 mm -68.48 -44.4 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 121.044 0.45 . . . . 1.0 110.847 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.06 -38.46 88.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.75 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.61 -48.74 63.34 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 122.084 0.945 . . . . 1.0 110.546 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.588 0.709 . . . . 1.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.9 m -55.5 -51.42 67.06 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.142 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -63.82 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.832 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.27 -46.49 67.1 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.481 -0.487 . . . . 1.0 110.726 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 13' ' ' VAL . 28.0 m-85 -62.06 -49.04 77.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.702 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.8 mt -60.2 -50.75 72.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.661 -0.815 . . . . 1.0 109.771 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.699 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 62.9 t0 -48.94 -41.32 33.48 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.249 -0.648 . . . . 1.0 109.249 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -68.07 -46.55 70.74 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.526 -0.869 . . . . 1.0 110.929 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.5 -40.42 94.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.477 -177.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.699 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -64.71 -47.66 77.51 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.619 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -62.95 -33.71 75.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.84 -0.744 . . . . 1.0 109.565 -179.231 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HE2' ' A' ' 73' ' ' TYR . 32.4 mt -61.81 -45.1 95.3 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.362 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' N ' HD11 ' A' ' 29' ' ' LEU . 31.8 ttmt -70.93 -23.55 62.27 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.513 -1.221 . . . . 1.0 110.544 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -67.32 -57.09 7.28 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.761 0.791 . . . . 1.0 112.947 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.584 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.9 p90 -75.92 -29.97 58.58 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.42 -0.912 . . . . 1.0 110.176 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt -60.94 -47.72 85.12 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.401 -0.519 . . . . 1.0 110.277 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.912 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.876 0.369 . . . . 1.0 110.22 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -131.77 109.93 10.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.228 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.8 mp -106.09 164.24 15.38 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.317 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -85.12 164.77 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.062 1.841 . . . . 1.0 111.848 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -108.6 143.6 37.43 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.343 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.415 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.65 134.75 92.54 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.94 -178.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.7 Cg_endo -72.02 137.21 28.76 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.029 1.819 . . . . 1.0 111.786 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 25.9 p -110.28 85.23 2.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.854 0.359 . . . . 1.0 110.164 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -87.27 171.3 10.1 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -70.74 46.55 0.63 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.037 1.824 . . . . 1.0 111.525 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.68 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.4 OUTLIER -104.71 147.94 35.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.205 -0.294 . . . . 1.0 110.205 -179.03 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.475 ' O ' ' NZ ' ' A' ' 69' ' ' LYS . 65.4 Cg_exo . . . . . 0 N--CA 1.496 1.637 0 C-N-CA 122.374 2.049 . . . . 1.0 111.656 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.755 0.312 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -57.84 147.75 27.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.407 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -61.17 -41.82 97.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.84 -45.7 85.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.253 0.549 . . . . 1.0 110.89 -179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.36 -44.6 88.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.437 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -63.1 -43.75 97.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.461 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.23 -47.65 78.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.229 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.3 mt -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.995 0.903 . . . . 1.0 109.786 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -59.58 -47.84 84.01 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.184 -0.948 . . . . 1.0 110.764 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.54 -42.57 95.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.176 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.3 p -66.78 -39.57 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.355 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.4 m -58.93 -48.87 79.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.465 0.65 . . . . 1.0 109.437 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.4 ttmt -61.05 -40.82 95.08 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.078 -0.712 . . . . 1.0 109.078 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -55.39 -42.58 74.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.324 -0.55 . . . . 1.0 111.059 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.9 p -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.175 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 3.3 pt-20 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.549 0.69 . . . . 1.0 110.473 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.57 -39.32 94.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.425 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.77 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.9 mttt -65.09 -40.28 94.37 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 10.81 1.26 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.499 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 66.17 28.22 10.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -99.12 69.64 1.74 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 121.32 0.581 . . . . 1.0 109.889 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 5.1 m-85 -57.25 -42.68 82.0 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 122.123 -0.361 . . . . 1.0 110.644 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.1 -53.16 61.03 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.002 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 14.0 tp10 -66.47 -43.64 84.91 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 121.906 0.86 . . . . 1.0 109.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.06 96.67 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.493 -0.754 . . . . 1.0 110.569 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.6 tp -59.12 -48.64 80.85 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.574 0.583 . . . . 1.0 112.574 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 12.4 ptm180 -60.84 -40.65 93.63 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.577 -0.849 . . . . 1.0 110.094 -178.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 58.4 mt -64.82 -39.63 93.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.02 -47.88 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.21 -42.67 99.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.513 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.391 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.99 -49.42 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 64' ' ' LEU . 50.9 t -57.84 -45.37 87.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.255 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -53.32 -49.37 67.19 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 120.064 -0.654 . . . . 1.0 111.067 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.85 -37.99 86.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 17.6 m-85 -61.88 -50.05 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.034 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 HD11 ' A' ' 43' ' ' ILE . 3.7 mm? -61.39 -39.34 90.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.285 0.564 . . . . 1.0 110.26 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.638 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 19.3 t-80 -67.01 -30.38 70.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.333 0.587 . . . . 1.0 110.062 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -69.97 -47.82 60.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.501 0.667 . . . . 1.0 111.333 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.871 HD11 HD13 ' A' ' 40' ' ' LEU . 18.6 pt -64.13 -32.38 57.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.969 -0.692 . . . . 1.0 111.248 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.45 -47.83 11.78 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.164 0.507 . . . . 1.0 112.289 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.638 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 22.5 m-85 -90.02 -10.09 46.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.994 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 47' ' ' ALA . 83.9 mt-10 -129.7 27.5 5.22 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -7.89 100.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.087 0.867 . . . . 1.0 111.483 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 46' ' ' GLU . 82.7 m-70 -100.48 170.27 8.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.082 -178.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -55.89 159.68 3.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -59.24 -37.5 77.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.492 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.25 -47.74 78.45 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.291 0.567 . . . . 1.0 109.924 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' B' ' 168' ' ' ILE . . . -63.18 -51.9 64.49 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.704 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -52.07 -52.2 52.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.755 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.72 -39.43 62.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.804 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 t -62.19 -44.13 97.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.836 -0.746 . . . . 1.0 110.415 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.533 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 18.6 mm -64.83 -49.17 81.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 120.865 0.364 . . . . 1.0 110.847 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -54.21 -58.1 8.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.251 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.26 57.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 1.0 110.64 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.1 tptt -60.71 -42.35 97.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.243 0.544 . . . . 1.0 110.941 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 92.3 m -52.88 -43.09 65.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.987 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.7 -48.84 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.82 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -54.48 -46.81 73.48 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.356 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.4 m-85 -62.48 -50.21 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.4 mt -59.79 -48.61 80.98 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.942 -0.703 . . . . 1.0 110.514 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -50.88 -45.67 60.13 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.48 -0.488 . . . . 1.0 109.928 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -60.0 -45.85 91.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.112 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.58 -36.97 79.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.731 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.75 -54.52 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.95 -36.52 81.66 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.219 -0.593 . . . . 1.0 110.553 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.3 mt -60.62 -48.92 79.64 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.176 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.67 -25.93 63.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.398 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -64.25 -55.16 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.7 p90 -78.72 -30.26 45.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.573 -0.851 . . . . 1.0 110.631 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.9 mt -61.2 -49.53 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.199 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.54 179.411 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 84.6 mt . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 110.067 -0.346 . . . . 1.0 110.067 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -120.77 109.38 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.317 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.14 164.05 20.25 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.092 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -86.14 161.39 10.06 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.117 1.878 . . . . 1.0 111.993 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.53 120.82 42.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.093 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.414 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.77 134.58 36.75 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.749 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.414 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.1 Cg_endo -73.08 161.88 42.22 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.223 1.949 . . . . 1.0 112.062 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 34.6 p -131.57 86.0 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.794 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 178' ' ' LEU . 15.7 mp0 -85.3 170.61 12.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -66.84 20.43 0.1 Allowed 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.619 2.212 . . . . 1.0 112.561 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.746 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.6 OUTLIER -69.67 144.13 93.44 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.297 -179.264 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.496 1.636 0 C-N-CA 121.832 1.688 . . . . 1.0 111.929 -179.57 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.065 0.459 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m -58.48 149.86 24.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -60.57 -43.76 96.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.191 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.92 -44.26 85.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.616 0.722 . . . . 1.0 110.84 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.62 -43.17 99.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.497 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -65.56 -44.09 87.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.624 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.208 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.2 mt -65.02 -40.47 89.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 122.059 0.933 . . . . 1.0 109.59 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -60.71 -44.77 96.18 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.517 -0.74 . . . . 1.0 110.403 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.04 -43.79 91.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.481 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.93 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 12.3 m -57.06 -50.71 71.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.607 0.718 . . . . 1.0 109.147 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 26.2 ttpt -64.24 -41.52 96.95 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.112 -0.635 . . . . 1.0 109.455 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.92 -44.41 63.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.913 -0.492 . . . . 1.0 110.592 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 14' ' ' THR . 35.0 p -64.81 -38.27 90.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.768 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.04 -38.76 89.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.404 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 68.8 mm-40 -67.02 -39.92 87.13 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.614 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 38.9 t0 -58.42 -41.38 84.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.788 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 23' ' ' LYS . 51.8 mttt -65.63 -40.45 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 12.57 0.69 Allowed 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.546 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.9 mmtt 64.68 29.08 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.817 0.698 . . . . 1.0 110.859 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -100.77 67.03 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.0 109.865 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.627 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.0 m-85 -56.47 -43.24 79.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -59.18 -53.51 57.51 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.491 -0.484 . . . . 1.0 111.202 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.41 -46.21 80.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.302 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.2 84.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.212 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 41.7 tp -58.73 -47.42 84.66 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.311 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.03 -42.86 86.24 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.169 -0.612 . . . . 1.0 110.625 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 72.7 mt -67.73 -39.02 84.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.798 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -59.48 -48.99 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.922 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -62.57 -44.18 96.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.628 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -61.28 -49.43 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -48.55 70.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG21 ' HG ' ' A' ' 64' ' ' LEU . 36.4 t -55.0 -44.57 74.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -55.17 -49.34 72.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.475 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -62.84 -39.25 93.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 20.7 m-85 -60.98 -50.54 72.97 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.5 0.667 . . . . 1.0 110.697 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.86 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 57.9 mt -62.73 -41.06 98.99 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.507 -0.769 . . . . 1.0 109.713 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.629 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.2 t60 -62.76 -34.33 77.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.18 0.514 . . . . 1.0 110.96 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.53 -46.8 78.17 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.669 0.747 . . . . 1.0 112.575 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.1 pt -63.14 -34.01 64.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 O-C-N 121.675 -0.64 . . . . 1.0 111.952 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.86 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.0 mtpt -84.59 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.619 0.6 . . . . 1.0 112.619 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.629 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 80.0 m-85 -90.55 -18.34 25.42 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.012 -178.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 71.4 mm-40 -120.11 118.94 31.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.387 0.613 . . . . 1.0 109.595 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -70.74 146.12 50.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.719 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 90.5 m-70 -155.78 -164.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.626 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.3 m -96.3 147.12 24.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 1.0 110.998 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -47.67 -35.94 10.32 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.333 -0.394 . . . . 1.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.96 -38.46 91.03 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -64.89 -56.65 12.05 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -46.76 -54.43 9.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.13 -41.11 64.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.568 . . . . 1.0 109.589 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -62.51 -44.25 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.114 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.59 -44.61 86.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.358 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.02 -38.71 92.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.98 -50.9 44.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.758 0.79 . . . . 1.0 110.502 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -65.38 -37.66 87.66 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.716 -0.615 . . . . 1.0 110.455 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -55.07 -50.33 69.42 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.971 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 58' ' ' ALA . 1.1 p -63.13 -29.88 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.552 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.0 -46.89 64.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.349 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.8 m-85 -62.33 -48.5 79.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.557 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.3 mt -60.04 -51.08 71.19 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.015 -0.674 . . . . 1.0 110.274 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.46 -46.56 38.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 31.9 mmm-85 -60.88 -44.59 96.88 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.19 -0.604 . . . . 1.0 109.875 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.25 -34.19 74.74 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.373 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.35 -55.55 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 ptmm? -60.11 -37.18 79.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.491 -0.483 . . . . 1.0 110.165 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.7 mt -60.85 -48.41 81.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.376 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.6 ttmm -70.93 -23.38 62.24 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.903 -1.044 . . . . 1.0 110.451 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.25 -57.39 6.77 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.6 p90 -75.72 -29.58 58.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.323 -0.853 . . . . 1.0 109.915 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.1 mt -61.04 -48.18 82.98 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 . . . . . 0 C--N 1.331 -0.222 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.25 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -128.81 112.46 14.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.149 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.01 164.21 15.44 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -82.69 163.59 16.32 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.326 2.017 . . . . 1.0 112.149 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -106.34 126.47 52.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.114 0.483 . . . . 1.0 110.286 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.42 136.27 32.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.804 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.484 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 59.4 Cg_endo -73.84 140.45 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.253 1.969 . . . . 1.0 111.956 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 90.3 p -107.78 85.32 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 1.0 110.217 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -87.02 154.69 55.23 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -71.36 55.64 2.01 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.485 2.123 . . . . 1.0 111.428 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.65 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.3 OUTLIER -105.65 147.5 34.79 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.151 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' B' ' 178' ' ' LEU . 76.5 Cg_exo . . . . . 0 C--N 1.308 -1.605 0 C-N-CA 122.452 2.101 . . . . 1.0 112.38 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.1 m . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 121.372 0.606 . . . . 1.0 110.671 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 158.68 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.199 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -61.66 -44.04 97.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.296 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.59 -46.53 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.466 0.65 . . . . 1.0 110.772 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.27 -44.9 88.61 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.501 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -63.67 -43.26 97.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.204 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.21 -44.29 79.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.987 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.8 -42.31 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 122.181 0.991 . . . . 1.0 109.672 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -59.86 -48.69 80.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.392 -0.818 . . . . 1.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.05 -43.45 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.019 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 p -67.8 -39.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 17' ' ' THR . 46.8 m -56.47 -50.84 70.54 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.743 0.783 . . . . 1.0 109.415 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.27 -40.38 93.88 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.442 -0.903 . . . . 1.0 109.237 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -52.3 -42.26 63.62 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.236 -0.586 . . . . 1.0 110.729 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 14' ' ' THR . 70.3 p -66.56 -40.16 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.626 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.71 -41.21 99.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.674 0.75 . . . . 1.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.8 -41.76 91.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.165 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.7 -41.63 86.71 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.927 -0.578 . . . . 1.0 109.669 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.7 mttt -66.26 -38.97 89.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.907 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 11.43 0.79 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.514 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 21' ' ' LYS . 16.0 mmmt 65.99 29.57 10.09 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.587 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -103.18 71.2 1.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.464 0.649 . . . . 1.0 110.013 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.3 m-85 -57.82 -43.72 85.94 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.29 -53.1 61.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.351 -0.54 . . . . 1.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.04 -44.87 87.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 1.0 110.354 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.33 89.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.1 tt -61.65 -44.86 96.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.924 0.393 . . . . 1.0 110.976 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.618 -0.833 . . . . 1.0 110.307 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.32 -39.93 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.021 0.439 . . . . 1.0 110.664 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.43 -42.22 98.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.81 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.39 -50.89 65.87 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.5 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.43 -48.42 62.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.8 t -58.2 -43.28 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.491 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -55.27 -49.76 71.25 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.17 -38.05 89.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.765 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -61.53 -48.05 82.81 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.437 0.636 . . . . 1.0 110.78 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.8 -39.02 92.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.566 0.698 . . . . 1.0 109.504 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 31.5 t60 -64.15 -35.41 80.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.503 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.6 -46.42 79.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.861 0.839 . . . . 1.0 112.255 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.67 -34.52 70.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.071 -1.018 . . . . 1.0 111.432 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -83.78 -47.38 11.21 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 43.9 m-85 -91.35 -16.24 27.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.726 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 93.2 mt-10 -120.58 142.91 48.94 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.35 146.69 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.404 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -158.11 -172.02 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.433 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.2 m -89.25 146.39 24.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.728 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -47.85 -35.9 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 1.0 110.413 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.12 -40.1 86.77 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.363 0.601 . . . . 1.0 110.368 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.935 ' HB1' HD12 ' B' ' 168' ' ' ILE . . . -65.34 -44.56 87.36 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.772 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -57.88 -52.66 64.56 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.618 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.03 -37.5 64.18 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.337 -0.545 . . . . 1.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.23 -43.37 98.97 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.806 -0.757 . . . . 1.0 110.571 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -66.19 -47.0 86.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.992 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -59.98 -57.94 10.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.419 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.97 -48.39 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.947 0.879 . . . . 1.0 110.113 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -66.53 -39.63 88.72 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.951 -0.7 . . . . 1.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.7 m -55.63 -49.32 73.16 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.423 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.11 -29.91 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.99 -46.87 64.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.299 -0.561 . . . . 1.0 110.445 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 31.0 m-85 -61.21 -48.49 81.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.271 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -60.42 -48.75 80.42 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.006 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -50.09 -45.21 52.44 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.077 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 14.3 mmm180 -60.92 -45.12 95.94 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.601 -0.84 . . . . 1.0 109.984 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -34.05 75.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.744 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.38 -54.46 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.296 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.547 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 7.3 pttm -60.8 -35.26 76.05 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.768 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.0 mt -60.29 -46.87 88.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.377 0.608 . . . . 1.0 110.039 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.5 ttpt -70.88 -24.67 62.54 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.742 -1.117 . . . . 1.0 111.236 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -66.68 -55.62 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.564 . . . . 1.0 112.507 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 10.3 p90 -77.97 -29.35 49.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.229 -0.989 . . . . 1.0 109.875 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.6 mt -58.85 -47.92 83.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.991 -0.684 . . . . 1.0 109.421 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.238 179.269 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.935 HD12 ' HB1' ' A' ' 52' ' ' ALA . 14.7 mt . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.014 0.435 . . . . 1.0 110.145 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -117.16 127.01 53.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.674 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 12.5 mt -123.98 151.61 65.35 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.404 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -68.98 164.6 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.122 1.881 . . . . 1.0 112.071 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -107.91 120.21 41.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -50.39 130.1 25.36 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.648 -178.759 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.479 ' O ' ' CZ ' ' A' ' 66' ' ' ARG . 72.0 Cg_endo -72.2 152.3 55.89 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.063 1.842 . . . . 1.0 112.155 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 95.5 p -119.55 85.82 2.44 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.57 169.25 19.57 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.716 -0.22 . . . . 1.0 111.029 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -68.12 70.13 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.506 1.471 . . . . 1.0 112.074 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.688 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.5 OUTLIER -141.63 149.09 52.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.836 -0.431 . . . . 1.0 109.836 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 N--CA 1.494 1.52 0 C-N-CA 121.747 1.631 . . . . 1.0 112.006 -179.523 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.141 0.496 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m -72.04 159.05 34.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.433 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.85 -46.49 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.437 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.198 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -54.22 -51.69 63.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.159 -0.616 . . . . 1.0 109.644 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -57.82 -40.13 79.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 119.808 -0.757 . . . . 1.0 109.21 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.61 -48.36 77.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 119.947 -0.701 . . . . 1.0 110.485 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.3 mt -65.35 -42.12 92.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.327 1.061 . . . . 1.0 109.707 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.58 -46.68 88.22 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 120.959 -1.088 . . . . 1.0 110.717 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.43 -42.56 95.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.379 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.8 p -67.5 -38.9 81.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.311 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' OG1' ' A' ' 17' ' ' THR . 8.3 m -57.37 -50.79 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.996 0.903 . . . . 1.0 109.057 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -61.43 -41.58 97.4 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.286 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -53.14 -44.16 67.54 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.282 -0.567 . . . . 1.0 111.333 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 14' ' ' THR . 32.5 p -63.75 -41.27 98.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.604 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -40.26 94.18 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.032 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.0 109.92 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.05 -40.22 84.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.575 -0.739 . . . . 1.0 109.628 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 60.5 mttt -66.01 -39.94 90.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.773 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 10.69 1.26 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.4 mmtp 66.1 30.11 9.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.926 0.766 . . . . 1.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.28 69.49 1.14 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.417 0.627 . . . . 1.0 109.963 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.0 -39.93 79.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.316 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -62.96 -52.3 63.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.244 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.9 tp10 -66.09 -43.29 87.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.208 1.004 . . . . 1.0 109.544 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.59 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.8 tp -59.47 -47.95 83.53 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 13.5 ptm180 -61.35 -42.6 98.95 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.595 -0.842 . . . . 1.0 109.778 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 75.6 mt -64.23 -38.92 92.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.265 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -59.41 -47.13 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.296 0.569 . . . . 1.0 110.578 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -40.94 98.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -64.43 -50.66 66.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.32 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.06 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.616 HG21 ' HG ' ' A' ' 64' ' ' LEU . 42.0 t -57.64 -43.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.482 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.63 -49.41 70.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.114 0.483 . . . . 1.0 110.761 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -64.26 -38.55 91.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.108 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.5 m-85 -61.69 -49.2 77.46 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.728 0.775 . . . . 1.0 110.478 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 73.9 mt -63.0 -40.23 97.16 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.487 -0.779 . . . . 1.0 109.415 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.633 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 21.8 t60 -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.454 -0.498 . . . . 1.0 110.993 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.4 -46.77 78.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.747 0.784 . . . . 1.0 112.579 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 6.2 pt -62.68 -33.03 57.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 119.494 -0.883 . . . . 1.0 111.631 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.4 mtpt -84.2 -44.86 13.52 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.988 0.736 . . . . 1.0 112.988 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 67.7 m-85 -92.01 -15.24 28.17 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.446 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 65.8 mm-40 -121.39 135.55 55.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -84.63 140.34 31.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.643 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 95.1 m-70 -160.05 154.55 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.62 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -57.48 166.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.253 0.549 . . . . 1.0 111.049 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.71 -52.04 67.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.783 -0.767 . . . . 1.0 109.987 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -51.9 -35.55 45.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -64.71 -53.77 42.0 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.776 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.6 mptp? -54.07 -49.55 68.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.484 -0.487 . . . . 1.0 110.171 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -54.16 -39.57 66.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.98 -43.32 99.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.858 -0.737 . . . . 1.0 110.254 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.5 mm -68.71 -44.43 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.475 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.0 -37.49 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.2 -48.24 57.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.268 1.033 . . . . 1.0 110.518 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 20.5 mmmt -68.01 -36.94 80.79 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 119.725 -0.79 . . . . 1.0 110.38 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 7.2 m -55.48 -50.24 70.41 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.038 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.6 p -63.76 -29.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.439 -0.504 . . . . 1.0 110.642 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.41 -47.45 64.11 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.857 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.6 m-85 -62.25 -48.11 81.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.677 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.0 mt -60.15 -49.03 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.094 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -49.71 -45.44 49.06 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.062 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.0 mmm180 -61.01 -44.57 97.22 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.857 -0.737 . . . . 1.0 109.69 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.29 -36.36 79.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.377 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.54 -54.75 27.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.01 -36.38 79.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.925 -0.71 . . . . 1.0 109.963 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.56 -48.16 83.0 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.121 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.41 -25.17 63.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.845 -1.07 . . . . 1.0 110.811 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -65.55 -56.04 14.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.828 0.823 . . . . 1.0 112.873 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.0 p90 -78.26 -29.48 48.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 119.525 -0.87 . . . . 1.0 109.887 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 25' ' ' TYR . 14.7 mt -59.29 -48.68 80.71 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.543 -0.863 . . . . 1.0 109.764 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.497 -0.774 . . . . 1.0 109.93 179.646 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.512 -0.484 0 N-CA-C 110.148 -0.316 . . . . 1.0 110.148 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -120.52 103.59 9.29 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.282 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.23 164.53 17.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.368 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -83.65 167.66 13.06 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.058 1.838 . . . . 1.0 111.898 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.94 136.47 51.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.435 0.636 . . . . 1.0 110.359 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.28 135.69 96.36 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.59 -178.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo -71.77 153.74 59.06 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.103 1.869 . . . . 1.0 112.114 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 19.1 t -128.79 85.31 2.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.049 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' B' ' 178' ' ' LEU . 21.9 mt-10 -87.35 175.62 4.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.287 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -65.41 31.06 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.363 2.042 . . . . 1.0 111.949 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' B' ' 176' ' ' GLU . 17.0 mt -43.5 151.94 0.44 Allowed Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.871 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 N--CA 1.496 1.658 0 C-N-CA 121.262 1.308 . . . . 1.0 112.194 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 120.96 0.409 . . . . 1.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.5 154.41 36.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.414 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.04 -41.89 93.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.959 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.25 -44.41 88.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.35 0.595 . . . . 1.0 110.867 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.71 -39.18 90.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.608 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -66.91 -44.0 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.664 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.82 -44.86 86.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.021 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.22 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.922 0.868 . . . . 1.0 109.79 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -59.8 -45.04 93.58 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 121.26 -0.9 . . . . 1.0 110.743 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.56 -42.79 91.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.644 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.5 p -67.59 -38.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 1.0 110.411 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' OG1' ' A' ' 17' ' ' THR . 72.4 m -57.77 -48.47 79.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.1 ttmt -63.32 -42.1 98.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.329 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.46 65.22 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.528 -0.469 . . . . 1.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.1 p -65.66 -40.31 92.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.95 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.1 pt-20 -63.78 -40.56 96.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.865 -0.734 . . . . 1.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.16 -38.99 89.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.812 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 47.2 t0 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.891 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 23' ' ' LYS . 53.2 mttt -65.62 -40.15 92.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.582 -0.447 . . . . 1.0 109.828 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.06 10.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.678 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 21' ' ' LYS . 70.8 mmtt 66.45 23.21 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.75 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.49 67.82 3.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.33 0.586 . . . . 1.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.88 -41.2 82.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.471 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.32 -53.17 60.79 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.339 -0.544 . . . . 1.0 111.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.54 -45.78 82.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.96 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.55 82.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.88 -46.36 88.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.12 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -59.11 -42.82 91.46 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.94 -0.704 . . . . 1.0 110.472 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 61.2 mt -67.17 -39.17 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.768 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.04 -49.49 77.44 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.085 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.11 -42.48 99.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -63.37 -50.32 70.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.05 -46.76 72.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.758 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 64' ' ' LEU . 33.8 t -57.28 -44.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.073 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -54.33 -49.22 70.24 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.466 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.74 -38.35 90.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.424 -0.511 . . . . 1.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.664 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.7 m-85 -61.35 -50.01 74.63 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.673 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.794 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 58.6 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.997 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.637 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 17.9 t-80 -66.19 -30.54 71.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.137 0.494 . . . . 1.0 111.035 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -69.71 -48.28 60.14 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 122.091 -0.381 . . . . 1.0 111.774 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.3 pt -59.53 -31.37 46.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 120.353 -0.539 . . . . 1.0 112.2 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.794 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 9.2 mtpt -84.58 -41.96 15.92 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.885 0.698 . . . . 1.0 112.885 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 33.0 m-85 -88.06 -17.86 30.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.534 -177.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 73.1 mm-40 -85.99 -123.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.412 -0.515 . . . . 1.0 110.857 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' C ' ' HZ3' ' A' ' 53' ' ' LYS . . . 174.49 15.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.604 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' N ' ' NZ ' ' A' ' 53' ' ' LYS . 87.3 m-70 -47.73 151.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.304 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 m -59.18 169.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 1.0 110.726 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.4 -34.09 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.556 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.84 -46.25 85.87 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.382 0.61 . . . . 1.0 110.462 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.96 79.5 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.653 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' NZ ' ' N ' ' A' ' 48' ' ' HIS . 1.5 mptt -50.75 -50.3 56.03 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.38 -39.71 67.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.496 -0.482 . . . . 1.0 109.814 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -60.87 -43.47 98.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.842 -0.743 . . . . 1.0 110.524 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 21.3 mm -66.42 -44.76 90.48 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.234 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.72 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.914 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.52 -49.8 61.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.978 0.894 . . . . 1.0 110.193 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.1 mmmt -64.5 -40.31 95.41 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.319 -0.863 . . . . 1.0 111.182 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 22.5 m -54.01 -43.94 70.5 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.162 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.336 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -69.53 -47.96 62.01 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.228 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.93 -48.67 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.41 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.5 mt -59.24 -48.82 80.19 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.739 -0.784 . . . . 1.0 110.118 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.8 -45.18 49.65 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.781 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 33.9 mmm-85 -61.46 -44.46 97.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.948 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.485 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.71 -55.06 22.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.303 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.77 -37.17 83.32 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.454 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 74' ' ' LEU . 19.3 mt -60.82 -49.16 78.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.185 0.517 . . . . 1.0 110.554 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -70.81 -22.39 62.35 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.793 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.84 -57.02 6.97 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.568 0.699 . . . . 1.0 112.694 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.2 p90 -76.1 -30.01 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.497 -0.881 . . . . 1.0 110.103 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.512 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt -60.14 -47.85 84.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 . . . . . 0 C--N 1.323 -0.572 0 C-N-CA 120.124 -0.631 . . . . 1.0 109.415 179.213 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 CA--C 1.504 -0.806 0 CA-C-O 121.588 0.709 . . . . 1.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -133.15 118.3 18.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.794 -1.094 . . . . 1.0 110.924 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 17.8 mt -129.94 157.6 76.4 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.172 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 171' ' ' PRO . . . . . 0.432 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 41.7 Cg_endo -93.53 -164.43 0.11 Allowed 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.258 1.972 . . . . 1.0 111.523 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -134.86 139.89 45.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.325 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -68.81 131.21 91.22 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.696 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 17' ' ' THR . 70.8 Cg_endo -75.61 92.94 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.074 1.85 . . . . 1.0 111.793 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 96.1 p -75.98 83.79 2.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -88.21 172.59 7.5 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.192 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -72.93 46.64 1.12 Allowed 'Trans proline' 0 N--CA 1.504 2.113 0 C-N-CA 122.162 1.908 . . . . 1.0 111.747 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.428 ' CD1' ' H ' ' B' ' 178' ' ' LEU . 0.2 OUTLIER -86.49 148.89 47.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.112 -179.152 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 48.5 Cg_endo . . . . . 0 C--N 1.303 -1.862 0 C-N-CA 122.11 1.873 . . . . 1.0 111.776 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.947 0.403 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -66.04 151.76 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.25 -44.04 95.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.33 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.42 -44.6 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.372 0.606 . . . . 1.0 110.618 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.15 -46.4 88.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.704 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -42.94 97.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.482 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.37 -45.44 76.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.336 0.588 . . . . 1.0 109.799 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.2 mt -63.95 -41.08 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.864 0.84 . . . . 1.0 109.8 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.95 -47.4 85.95 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.711 -0.796 . . . . 1.0 111.091 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.16 -43.89 97.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.328 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.9 p -68.26 -37.59 78.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.334 -0.546 . . . . 1.0 110.553 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 m -57.33 -51.01 71.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.494 0.664 . . . . 1.0 109.423 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -62.48 -40.87 98.08 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.54 -0.864 . . . . 1.0 109.449 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -43.39 63.06 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.437 HG22 ' HD3' ' B' ' 174' ' ' PRO . 47.3 p -66.11 -39.45 89.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.425 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -40.84 96.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.901 -0.719 . . . . 1.0 110.126 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -64.76 -39.72 94.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.122 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' OE1' ' B' ' 176' ' ' GLU . 48.0 t0 -59.67 -40.46 87.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.682 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' LYS . 55.1 mttt -65.64 -39.66 91.69 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.782 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 10.02 1.28 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.582 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.0 mmtp 65.95 32.35 8.57 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.979 0.799 . . . . 1.0 110.457 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -104.09 69.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 1.0 109.865 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.6 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -57.39 -43.81 83.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.312 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.64 -53.22 60.78 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.497 -0.481 . . . . 1.0 111.698 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.0 -45.63 77.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.972 0.415 . . . . 1.0 110.133 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.18 82.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' LYS . 2.9 tt -61.08 -46.84 89.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 1.0 111.83 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.737 ' NH1' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.96 -40.84 94.87 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 119.778 -0.769 . . . . 1.0 109.828 -179.451 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.737 HD21 ' NH1' ' A' ' 30' ' ' ARG . 81.6 mt -65.4 -40.21 93.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.858 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.64 -46.48 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.923 0.392 . . . . 1.0 110.563 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -63.69 -42.39 98.02 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.821 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.06 -51.77 62.5 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.353 0.597 . . . . 1.0 110.747 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.84 75.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.779 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG21 ' HG ' ' A' ' 64' ' ' LEU . 29.4 t -58.45 -43.55 86.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -54.0 -49.53 68.65 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -62.4 -38.97 91.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.884 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.4 m-85 -60.75 -49.24 78.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.598 0.714 . . . . 1.0 110.684 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 66.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.611 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 17.9 t60 -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.231 -0.587 . . . . 1.0 110.736 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -67.01 -47.15 72.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.697 0.761 . . . . 1.0 112.597 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.4 pt -62.56 -34.43 64.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 C-N-CA 119.493 -0.883 . . . . 1.0 111.398 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 12.2 mtmt -84.03 -45.57 12.95 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 83.3 m-85 -93.75 -13.42 27.44 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.552 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ALA . 42.6 mm-40 -123.49 146.03 48.39 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -91.53 151.63 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.51 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 43.4 m80 -161.78 -174.45 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.705 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 m -81.62 172.56 13.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.354 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.0 -49.22 59.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -25.1 67.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.448 0.642 . . . . 1.0 109.728 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -69.56 -49.76 51.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.163 -0.926 . . . . 1.0 109.721 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -47.81 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.633 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -60.42 -33.69 72.88 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.409 -0.516 . . . . 1.0 110.06 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.526 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.7 mm -68.1 -45.93 82.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-O 121.249 0.547 . . . . 1.0 110.523 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.25 -57.96 10.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.128 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.47 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 1.0 110.561 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.567 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.2 mmmm -62.27 -42.89 99.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.948 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -52.67 -39.85 62.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -64.8 -47.72 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.856 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -56.15 -46.6 79.21 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.957 0.408 . . . . 1.0 110.448 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.567 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 26.4 m-85 -63.19 -50.5 70.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -60.59 -47.74 84.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.712 -0.795 . . . . 1.0 110.431 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -52.34 -45.04 65.52 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.072 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' B' ' 173' ' ' VAL . 17.5 mmm180 -60.34 -44.41 95.54 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.785 -0.766 . . . . 1.0 109.43 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.63 80.53 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.9 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -54.68 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.318 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -61.44 -34.78 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.918 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 mt -59.68 -47.56 85.13 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.143 0.497 . . . . 1.0 109.996 -179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' LEU . 25.5 ttpt -69.42 -25.67 64.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.176 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.4 -55.61 14.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.656 0.613 . . . . 1.0 112.656 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -77.78 -30.45 51.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.157 -1.017 . . . . 1.0 109.867 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.7 mt -58.34 -48.32 80.93 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.83 -0.748 . . . . 1.0 109.821 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.114 179.248 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 3.8 mm . . . . . 0 CA--C 1.501 -0.906 0 CA-C-O 121.627 0.727 . . . . 1.0 110.158 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -132.72 117.29 17.65 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.325 -1.307 . . . . 1.0 110.777 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 13.3 mt -120.5 161.3 40.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.064 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -92.33 -177.49 0.85 Allowed 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.212 1.942 . . . . 1.0 111.719 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -122.85 137.94 54.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.063 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.403 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -67.99 137.51 92.23 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.745 -179.191 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 17' ' ' THR . 60.0 Cg_endo -71.12 145.41 49.31 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.8 1.667 . . . . 1.0 112.02 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 17.9 t -106.97 85.29 2.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 20' ' ' ASP . 19.2 mt-10 -86.77 168.51 18.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.714 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -89.02 49.32 1.32 Allowed 'Trans proline' 0 N--CA 1.502 1.997 0 C-N-CA 122.538 2.159 . . . . 1.0 110.965 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 34.0 mt -43.31 140.07 2.27 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 1.0 111.018 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.498 1.775 0 C-N-CA 121.51 1.473 . . . . 1.0 112.272 -179.459 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 121.312 0.577 . . . . 1.0 110.336 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p -70.75 161.91 30.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.411 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -61.12 -41.93 97.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.003 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.68 -44.32 86.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.626 0.727 . . . . 1.0 111.032 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.694 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 38' ' ' TYR . 45.6 tttm -64.08 -42.19 97.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.509 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.26 82.2 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.041 0.448 . . . . 1.0 110.035 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.45 -42.18 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.326 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.73 -44.46 96.86 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.205 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -63.7 -44.72 92.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.762 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 63' ' ' TYR . 8.3 p -69.97 -35.52 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.171 -0.612 . . . . 1.0 110.794 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 15.5 m -56.95 -50.62 72.05 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.982 0.896 . . . . 1.0 109.38 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -63.56 -40.26 96.53 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.539 -0.864 . . . . 1.0 109.283 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.6 -42.47 64.59 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.178 -0.609 . . . . 1.0 111.035 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.8 p -65.72 -37.21 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.272 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -39.33 93.31 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.766 -0.773 . . . . 1.0 109.595 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 71.4 mm-40 -69.3 -42.44 75.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.427 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -56.36 -44.71 80.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.696 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' LYS . 37.9 mtmt -67.34 -36.42 81.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.393 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 10.75 1.05 Allowed 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.325 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.7 mmtt 67.96 20.76 9.1 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.36 1.038 . . . . 1.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 2.1 m-20 -95.11 68.56 3.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.0 110.149 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.6 m-85 -56.88 -43.04 80.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.425 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.3 -53.06 61.6 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.136 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.1 tp10 -65.07 -45.78 83.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.224 1.011 . . . . 1.0 109.579 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.9 94.37 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 121.615 -0.678 . . . . 1.0 110.431 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.75 -50.14 75.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.569 0.581 . . . . 1.0 112.569 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 11.3 ptm180 -59.58 -40.62 87.98 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.646 -0.821 . . . . 1.0 109.883 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 87.6 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.28 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -60.02 -48.56 81.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.169 0.509 . . . . 1.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.37 -44.28 96.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.673 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -61.07 -49.57 76.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 1.0 110.558 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.3 73.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.8 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.3 t -56.97 -44.83 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.272 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -54.88 -48.83 72.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 1.0 110.412 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 44.2 m-85 -63.15 -39.32 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.524 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 19.8 m-85 -61.41 -49.8 75.42 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.217 0.532 . . . . 1.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.711 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 81.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.679 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.637 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 20.2 t-80 -64.97 -25.36 67.84 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.167 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -74.32 -48.69 26.66 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 112.095 0.406 . . . . 1.0 112.095 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' H ' HG12 ' A' ' 43' ' ' ILE . 6.6 pt -60.66 -32.38 51.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 24.0 mttm -84.53 -44.19 13.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.657 0.984 . . . . 1.0 113.657 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 33.7 m-85 -84.92 -19.18 32.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.952 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 71.1 mm-40 -85.87 -118.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.908 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 164.75 33.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.205 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' ND1' HD11 ' B' ' 168' ' ' ILE . 95.4 m-70 -54.3 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 1.0 110.641 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -103.69 160.47 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 1.0 110.308 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 54' ' ' GLU . 15.1 m-20 -53.2 -39.24 63.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.873 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -64.09 -44.96 90.73 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.526 0.679 . . . . 1.0 110.353 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB1' HG12 ' B' ' 168' ' ' ILE . . . -64.49 -50.39 67.65 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.713 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -52.37 28.71 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.018 -0.673 . . . . 1.0 110.554 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -53.7 -39.02 64.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 -179.309 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -61.07 -43.89 98.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.794 -0.763 . . . . 1.0 110.283 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.499 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.7 mm -66.58 -45.1 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.027 0.442 . . . . 1.0 110.589 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -62.3 -37.79 86.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.906 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.06 -49.74 59.48 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 122.218 1.009 . . . . 1.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' B' ' 172' ' ' GLU . 23.6 mmmt -67.29 -36.32 81.29 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.483 -0.761 . . . . 1.0 110.451 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 19.4 m -55.43 -50.51 69.63 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.009 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.28 -29.73 48.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.693 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -69.14 -47.1 65.96 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.541 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.0 m-85 -61.98 -48.55 79.82 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -59.69 -50.17 74.88 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 119.495 -0.882 . . . . 1.0 109.957 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.8 -46.81 42.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.762 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 21.7 mmm180 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.677 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.9 73.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.469 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.43 -54.96 15.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.453 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.16 -36.94 81.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.138 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 74' ' ' LEU . 43.8 mt -60.44 -49.65 76.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.522 0.677 . . . . 1.0 110.744 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -70.85 -21.95 62.37 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.159 -1.382 . . . . 1.0 111.156 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -69.12 -57.17 5.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 112.664 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.593 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.4 p90 -75.71 -29.29 58.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.811 -0.756 . . . . 1.0 109.81 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt -60.41 -46.93 88.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.599 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.608 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.57 HG12 ' HB1' ' A' ' 52' ' ' ALA . 1.5 mp . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 121.167 0.508 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -132.22 115.89 16.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.42 -0.809 . . . . 1.0 109.57 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.5 mt -126.56 162.53 46.23 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.329 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -95.64 -177.44 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.082 1.855 . . . . 1.0 111.222 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 172' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 59' ' ' LYS . 47.4 tp10 -121.26 124.18 44.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.069 0.462 . . . . 1.0 109.982 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -53.89 135.73 56.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.622 -179.066 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.476 ' HD3' HG22 ' A' ' 17' ' ' THR . 61.1 Cg_endo -73.25 135.68 23.05 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.929 1.752 . . . . 1.0 111.955 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 40.2 t -98.05 84.04 3.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.03 165.88 27.01 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.941 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -93.98 39.72 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.553 2.169 . . . . 1.0 111.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.478 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.3 OUTLIER -75.01 146.12 81.99 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.974 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 39.9 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 C-N-CA 121.996 1.797 . . . . 1.0 112.259 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.523 -0.065 0 CA-C-O 120.892 0.377 . . . . 1.0 110.529 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.8 m -60.92 150.6 32.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.221 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -61.09 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.08 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.99 -45.33 82.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.209 0.528 . . . . 1.0 110.802 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -59.52 -43.8 93.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.542 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.27 -42.8 92.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.347 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.56 -44.04 80.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.84 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.73 -41.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.929 0.871 . . . . 1.0 109.651 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -59.99 -46.29 89.96 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.338 -0.851 . . . . 1.0 110.547 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.14 -43.14 96.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.52 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.7 p -66.9 -38.58 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.56 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.5 m -58.32 -48.7 79.7 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.534 0.683 . . . . 1.0 109.382 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -62.69 -42.14 99.48 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.337 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.7 -43.2 65.46 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.103 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 48.5 p -65.85 -39.63 90.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.84 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.13 -41.37 97.23 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.774 -0.77 . . . . 1.0 110.164 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -65.04 -38.85 92.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.395 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -59.62 -39.42 84.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 23' ' ' LYS . 49.2 mttm -65.38 -41.33 93.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.833 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.46 10.55 1.0 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.6 mmtp 66.6 27.21 9.62 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.362 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.97 67.21 1.92 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.902 0.382 . . . . 1.0 110.224 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.19 -40.09 76.69 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.148 -0.221 . . . . 1.0 110.468 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.48 -52.54 64.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.719 0.295 . . . . 1.0 111.064 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.76 -46.28 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.889 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.63 80.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.27 -46.02 89.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 120.704 0.288 . . . . 1.0 111.049 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.38 -43.42 92.9 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.513 -0.875 . . . . 1.0 110.265 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.9 mt -66.6 -39.67 88.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.958 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -59.9 -49.11 78.98 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.866 0.365 . . . . 1.0 110.863 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.685 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -63.33 -50.75 68.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.596 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.07 73.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.4 t -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.924 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -53.98 -49.32 69.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.49 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.88 -37.97 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.006 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.6 m-85 -60.61 -49.21 78.44 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.586 -0.445 . . . . 1.0 110.39 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 1.0 109.908 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.611 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t60 -67.55 -26.73 66.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.305 0.574 . . . . 1.0 110.458 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -72.69 -47.33 48.15 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.859 -0.526 . . . . 1.0 111.375 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.4 pt -67.25 -32.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -82.7 -47.73 11.68 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 13.0 m-85 -81.21 -25.68 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 1.0 112.272 -176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 58.7 mm-40 -84.07 -112.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.312 -0.555 . . . . 1.0 111.308 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 159.13 63.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.085 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.92 -160.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -102.89 170.12 8.18 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.75 0.309 . . . . 1.0 110.222 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.93 -36.83 80.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.46 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -46.19 82.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.193 0.521 . . . . 1.0 110.227 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -61.49 -54.07 48.21 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.753 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -50.97 47.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.133 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -53.37 -41.36 65.77 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.106 -0.638 . . . . 1.0 109.737 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -62.39 -43.51 98.66 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.861 -0.736 . . . . 1.0 110.748 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.0 mm -67.55 -45.67 84.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.701 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.58 -58.07 9.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.863 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.8 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.169 0.509 . . . . 1.0 110.207 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.636 ' HZ1' ' CD ' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.166 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -51.8 -37.03 50.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.09 -46.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.627 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.636 ' CD ' ' HZ1' ' A' ' 59' ' ' LYS . 67.2 mt-30 -54.13 -50.07 67.75 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.095 0.474 . . . . 1.0 110.58 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 13' ' ' VAL . 24.5 m-85 -63.05 -48.65 77.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -60.14 -47.59 85.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.556 -0.858 . . . . 1.0 110.408 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.86 -44.66 63.76 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.039 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 21.0 mmm180 -61.88 -43.56 98.6 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.765 -0.774 . . . . 1.0 109.365 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.57 81.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.384 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.66 -54.9 28.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.618 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.94 -36.52 81.64 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.197 -0.601 . . . . 1.0 110.279 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 22.1 mt -61.16 -48.87 79.6 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.189 0.518 . . . . 1.0 110.164 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -70.99 -23.86 62.28 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.428 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -66.54 -56.03 12.73 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 112.947 0.721 . . . . 1.0 112.947 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.605 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.9 p90 -77.79 -28.73 50.5 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 119.407 -0.917 . . . . 1.0 109.98 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' A' ' 25' ' ' TYR . 17.2 mt -60.05 -48.93 79.66 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.78 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 . . . . . 0 C--N 1.319 -0.718 0 C-N-CA 119.954 -0.699 . . . . 1.0 110.166 179.621 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 110.0 -0.37 . . . . 1.0 110.0 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 169' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' B' ' 169' ' ' GLU . 58.0 mp0 -129.07 111.37 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.754 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 11.2 mt -100.39 162.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.948 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.25 163.98 8.4 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.064 1.843 . . . . 1.0 112.041 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -105.82 127.3 53.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.079 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -56.88 141.64 74.66 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.626 -179.035 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo -70.9 150.82 61.89 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.353 2.035 . . . . 1.0 111.843 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 36.1 t -112.64 85.7 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -86.19 166.37 28.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -93.08 13.71 1.7 Allowed 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.504 2.136 . . . . 1.0 112.149 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.454 HD22 ' CE1' ' A' ' 25' ' ' TYR . 1.8 pp -54.25 142.78 47.51 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.442 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 N--CA 1.499 1.796 0 C-N-CA 121.581 1.521 . . . . 1.0 112.577 -179.58 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 4' ' ' SER . 59.6 m . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.233 0.54 . . . . 1.0 110.479 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.426 ' N ' HG22 ' A' ' 3' ' ' THR . 22.2 m -74.99 151.42 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.06 -44.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.448 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -42.17 86.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.406 . . . . 1.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -56.61 -45.88 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.699 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.36 -39.52 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.625 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.48 -48.07 80.19 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.564 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.0 mt -62.64 -41.12 90.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 121.76 0.79 . . . . 1.0 109.537 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -60.57 -43.12 97.65 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.632 -0.668 . . . . 1.0 110.53 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.675 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.76 -38.58 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.982 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.9 m -57.25 -49.87 74.69 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.6 ttpt -65.01 -41.02 95.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.24 65.08 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 14' ' ' THR . 26.2 p -65.43 -38.6 90.36 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.927 0.394 . . . . 1.0 110.92 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.07 -39.18 89.86 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.142 -0.623 . . . . 1.0 110.568 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.87 -40.33 87.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.45 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 15.9 t70 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.861 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 23' ' ' LYS . 52.9 mttt -65.1 -39.26 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.43 11.31 1.02 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.795 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.4 mmtt 66.93 26.93 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.59 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -97.61 67.26 2.03 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.426 0.632 . . . . 1.0 110.247 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -56.54 -43.94 80.36 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 122.072 -0.392 . . . . 1.0 110.59 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -59.95 -54.08 50.28 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.608 -0.437 . . . . 1.0 111.281 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 38.0 tt0 -65.32 -46.62 79.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.636 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.8 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.1 tp -58.29 -47.51 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.27 0.357 . . . . 1.0 110.977 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.03 -42.96 86.43 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.627 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 66.0 mt -67.67 -39.07 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.611 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.73 -49.93 75.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.85 -42.94 99.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.696 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -62.21 -49.03 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.612 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.55 -45.72 77.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.786 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.0 t -58.01 -44.77 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.372 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.95 -47.08 78.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.467 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.81 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.1 m-85 -61.67 -50.51 72.21 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.622 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 60.3 mt -62.36 -41.23 98.44 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.795 -0.638 . . . . 1.0 109.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 34.2 t-80 -66.53 -28.65 68.71 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 121.122 0.487 . . . . 1.0 111.215 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -70.69 -47.39 60.1 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.134 0.42 . . . . 1.0 112.134 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.7 pt -62.01 -30.65 49.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.6 mtpt -85.87 -44.93 12.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.664 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 32.7 m-85 -84.72 -22.04 29.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.617 -0.72 . . . . 1.0 112.368 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 40.3 mm-40 -92.52 -118.52 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.921 0.391 . . . . 1.0 110.513 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' CE ' ' A' ' 53' ' ' LYS . . . -165.03 -89.92 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.949 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 63.79 -179.25 0.16 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.231 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m -104.01 170.82 7.69 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.922 0.391 . . . . 1.0 110.637 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -60.21 -34.84 74.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.168 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -65.63 -43.66 88.84 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.234 0.54 . . . . 1.0 110.165 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HB1' HG12 ' B' ' 168' ' ' ILE . . . -65.8 -50.37 64.92 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.656 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.61 -49.99 55.16 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.146 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -54.33 -39.13 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.298 0.374 . . . . 1.0 110.032 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 52' ' ' ALA . 10.6 t -61.37 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.449 -0.501 . . . . 1.0 109.983 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 11.5 mm -67.85 -44.4 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.023 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -63.74 -38.22 90.29 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.002 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -69.07 -49.49 56.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.899 0.857 . . . . 1.0 110.718 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.3 mmmt -67.43 -36.7 81.76 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.77 -0.581 . . . . 1.0 110.7 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.8 m -55.35 -50.33 69.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.026 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.18 -29.59 47.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.793 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -69.72 -47.4 63.24 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.477 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.9 m-85 -60.88 -48.4 82.0 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.586 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.6 mt -59.33 -50.72 72.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.085 -0.646 . . . . 1.0 109.967 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.845 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 32.7 t0 -46.42 -43.17 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' B' ' 174' ' ' PRO . 12.3 mmm180 -66.13 -45.8 79.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.411 0.624 . . . . 1.0 110.993 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.06 -41.47 92.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.724 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.845 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -62.31 -48.52 79.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.94 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.8 ptmm? -65.22 -36.52 84.42 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.082 0.468 . . . . 1.0 109.87 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.7 mt -61.96 -47.12 86.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -71.83 -22.04 61.6 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.238 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.03 -58.29 4.75 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.858 0.688 . . . . 1.0 112.858 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.0 p90 -75.48 -29.52 59.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.6 mt -60.33 -49.88 75.82 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 . . . . . 0 C--N 1.332 -0.172 0 O-C-N 123.69 0.619 . . . . 1.0 110.073 178.896 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.451 HG12 ' HB1' ' A' ' 52' ' ' ALA . 1.5 mp . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 169' ' ' GLU . . . . . 0.551 ' C ' HD22 ' B' ' 170' ' ' LEU . 6.3 pt-20 -134.1 112.62 11.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 1.0 111.174 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 39' ' ' PHE . 3.0 mm? -107.38 157.71 34.96 Favored Pre-proline 0 N--CA 1.454 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.03 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -95.73 -174.63 0.29 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.08 1.853 . . . . 1.0 111.003 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -117.17 142.63 46.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.139 0.495 . . . . 1.0 110.581 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.64 133.38 62.9 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.505 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 58.7 Cg_endo -73.95 116.53 4.69 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.453 2.102 . . . . 1.0 111.965 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.7 p -94.33 84.2 4.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.077 0.465 . . . . 1.0 110.191 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' B' ' 178' ' ' LEU . 57.7 mt-10 -87.56 170.54 11.58 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.661 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -63.78 29.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.419 2.08 . . . . 1.0 111.913 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.589 ' H ' ' C ' ' B' ' 176' ' ' GLU . 23.5 mt -42.19 138.24 2.0 Allowed Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.621 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 C--N 1.307 -1.657 0 C-N-CA 122.165 1.91 . . . . 1.0 111.942 -179.422 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.143 0.497 . . . . 1.0 110.757 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -63.8 154.74 32.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.152 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -61.01 -45.91 92.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.25 -45.16 77.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.108 0.48 . . . . 1.0 110.661 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -57.9 -45.14 86.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.405 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.51 95.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.36 82.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.846 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.59 -41.98 93.82 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-O 122.076 0.941 . . . . 1.0 109.725 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.36 -47.71 84.4 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.838 . . . . 1.0 110.743 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.3 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.489 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.6 p -67.66 -39.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 17' ' ' THR . 6.8 m -57.02 -51.46 69.16 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 121.331 0.586 . . . . 1.0 109.438 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -62.49 -41.0 98.49 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.749 -0.78 . . . . 1.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.95 63.06 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.943 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HD3' ' B' ' 174' ' ' PRO . 62.2 p -66.82 -38.59 86.74 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.601 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.067 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -65.8 -40.57 92.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.07 -40.85 86.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 23' ' ' LYS . 24.0 mttt -65.95 -39.63 90.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.981 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 8.29 1.81 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.689 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 21' ' ' LYS . 69.8 mmtt 68.86 26.11 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -97.83 69.67 2.12 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.347 0.594 . . . . 1.0 109.933 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CD2' ' OH ' ' A' ' 73' ' ' TYR . 3.0 m-85 -57.35 -43.13 83.22 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.87 -52.71 63.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 1.0 111.428 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.76 -45.8 81.18 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.451 -0.499 . . . . 1.0 110.16 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.53 81.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -60.39 -44.98 95.13 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.802 0.334 . . . . 1.0 111.374 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -60.04 -43.39 95.36 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.988 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.73 -39.37 87.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.042 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -59.87 -48.52 81.36 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.724 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.31 -41.39 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.934 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -64.51 -51.17 64.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.28 -46.3 72.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 64' ' ' LEU . 45.4 t -58.5 -43.79 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.147 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.85 -49.84 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.574 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.27 -37.35 86.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.925 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.6 m-85 -60.29 -49.15 78.73 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.619 -0.433 . . . . 1.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.11 -38.96 93.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.999 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 45' ' ' TYR . 60.0 t-80 -67.76 -29.1 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.484 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -71.27 -47.0 59.64 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 121.949 -0.469 . . . . 1.0 111.552 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.82 -32.67 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.284 -0.566 . . . . 1.0 112.514 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -82.26 -47.59 12.23 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 113.065 0.765 . . . . 1.0 113.065 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CE1' ' CD2' ' A' ' 41' ' ' HIS . 6.9 m-85 -79.82 -27.44 40.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.468 -0.787 . . . . 1.0 112.009 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 76.9 mt-10 -88.06 -110.25 0.07 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.939 -0.704 . . . . 1.0 111.363 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 156.47 72.41 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.165 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 90.6 m-70 -86.09 -162.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 1.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -97.38 159.84 14.68 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.791 0.329 . . . . 1.0 110.211 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.68 -38.01 53.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.634 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' O ' ' OG ' ' A' ' 55' ' ' SER . 73.4 mmtt -66.19 -44.53 83.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.434 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' B' ' 168' ' ' ILE . . . -63.33 -54.15 41.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.673 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -53.07 27.9 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.654 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -54.21 -39.92 67.16 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.52 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 51' ' ' LYS . 2.1 m -61.2 -43.81 98.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.14 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -67.85 -44.29 85.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-O 120.988 0.423 . . . . 1.0 110.546 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.7 -58.34 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.326 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.56 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.215 0.531 . . . . 1.0 110.518 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.4 mmmm -63.22 -42.77 99.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 m -52.38 -38.92 60.06 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.41 -48.02 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.421 -0.512 . . . . 1.0 109.807 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -55.63 -47.45 76.58 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.58 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.563 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 27.3 m-85 -62.11 -50.31 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -59.96 -47.48 85.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.792 -0.763 . . . . 1.0 110.128 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -51.31 -45.27 62.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.276 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -61.35 -44.39 97.25 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.753 -0.779 . . . . 1.0 109.427 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.88 -36.21 80.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.276 -0.57 . . . . 1.0 110.684 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.29 -54.47 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -61.39 -35.48 77.64 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.887 -0.725 . . . . 1.0 109.851 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 74' ' ' LEU . 23.8 mt -60.51 -46.43 90.17 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.181 0.515 . . . . 1.0 109.892 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' LEU . 32.1 ttmt -71.04 -24.82 62.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.055 -0.975 . . . . 1.0 110.878 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.55 -56.4 12.5 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.71 0.634 . . . . 1.0 112.71 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' OH ' ' CD2' ' A' ' 25' ' ' TYR . 13.7 p90 -77.62 -31.18 52.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 119.331 -0.947 . . . . 1.0 110.565 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 70' ' ' LEU . 19.3 mt -60.13 -49.02 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.1 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.408 179.251 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.95 HD12 ' HB1' ' A' ' 52' ' ' ALA . 9.4 mt . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.188 0.518 . . . . 1.0 109.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 169' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' B' ' 169' ' ' GLU . 52.5 mp0 -120.76 124.74 45.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.21 -0.905 . . . . 1.0 109.3 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.508 ' HB2' ' HZ2' ' A' ' 59' ' ' LYS . 7.8 mt -123.61 163.57 33.86 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.999 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -89.39 171.13 4.51 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.894 1.729 . . . . 1.0 111.755 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -111.39 133.11 53.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.764 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.31 141.25 96.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.911 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.431 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.8 Cg_endo -72.86 154.45 53.55 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.972 1.781 . . . . 1.0 111.59 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -115.81 86.04 2.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' B' ' 176' ' ' GLU . 41.1 mp0 -85.46 162.5 48.05 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -93.23 55.91 0.43 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 121.954 1.769 . . . . 1.0 111.687 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.717 ' H ' HD12 ' B' ' 178' ' ' LEU . 0.0 OUTLIER -80.8 172.73 9.08 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.735 -178.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 178' ' ' LEU . 24.4 Cg_exo . . . . . 0 N--CA 1.496 1.672 0 C-N-CA 121.68 1.587 . . . . 1.0 111.042 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.88 0.371 . . . . 1.0 110.7 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 162.58 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.998 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -60.5 -46.77 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.33 -41.91 84.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.361 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.247 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.71 -42.19 92.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.066 -0.653 . . . . 1.0 110.081 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.5 mt -65.0 -41.59 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.906 0.86 . . . . 1.0 110.121 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.39 -44.35 97.3 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.426 -0.796 . . . . 1.0 110.547 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 38' ' ' TYR . 49.8 mt -64.75 -43.42 93.39 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.627 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.3 p -68.24 -36.86 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 17' ' ' THR . 95.4 m -58.92 -47.9 83.39 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.409 0.623 . . . . 1.0 109.495 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -64.1 -42.38 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.184 -0.606 . . . . 1.0 109.59 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.23 -42.69 63.81 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.953 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.3 p -66.92 -37.24 83.98 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.588 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.87 -41.05 92.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.904 -0.719 . . . . 1.0 110.057 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -40.25 87.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.005 0.431 . . . . 1.0 110.713 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.45 -41.63 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.68 -39.37 91.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.122 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 10.89 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' LYS . 27.3 mmtp 67.14 22.09 9.91 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.036 0.835 . . . . 1.0 110.562 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.89 66.87 3.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.19 0.519 . . . . 1.0 110.245 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.7 m-85 -56.73 -40.91 76.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.508 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -60.62 -52.57 64.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.31 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -66.38 -46.67 75.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.77 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.67 -47.14 85.5 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.717 0.294 . . . . 1.0 110.833 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.616 -0.834 . . . . 1.0 110.289 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 58.5 mt -66.05 -40.02 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -59.61 -49.84 76.2 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.871 0.367 . . . . 1.0 110.907 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.92 -43.57 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.626 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -62.46 -51.55 67.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.632 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.06 68.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.694 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.7 t -58.25 -43.96 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.458 -0.497 . . . . 1.0 110.012 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -53.68 -49.63 67.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.606 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 57.1 m-85 -62.98 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.941 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -60.92 -50.69 72.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.55 . . . . 1.0 110.176 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.786 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 69.6 mt -62.72 -42.8 99.84 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.097 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.627 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -64.63 -28.52 69.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.146 0.498 . . . . 1.0 111.264 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -70.33 -47.84 59.21 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 8.0 pt -62.79 -31.93 54.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 112.183 0.438 . . . . 1.0 112.183 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.786 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.0 mtpt -83.71 -44.05 14.88 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.9 0.704 . . . . 1.0 112.9 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 38.3 m-85 -85.89 -18.8 31.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.486 -177.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -120.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.173 -0.611 . . . . 1.0 111.245 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 164.33 32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 1.0 109.975 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ALA . 97.9 m-70 -54.78 -162.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.5 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.0 m -102.13 159.67 15.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.867 0.365 . . . . 1.0 110.71 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -49.56 -38.65 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.547 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 31.4 mtmm -63.4 -40.19 96.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.84 0.829 . . . . 1.0 109.782 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.42 -56.29 13.31 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.387 -0.925 . . . . 1.0 110.09 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.9 mptp? -48.38 -56.37 8.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.516 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 7.8 pt-20 -52.47 -41.55 63.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.152 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 34.9 t -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.032 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.4 mm -66.83 -44.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.447 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.13 -58.41 8.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.54 -51.54 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.101 0.477 . . . . 1.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -62.24 -41.98 98.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.45 -40.27 62.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.41 -48.4 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.101 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -54.22 -47.43 72.17 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.365 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.6 m-85 -62.66 -49.23 75.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.367 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.9 mt -59.9 -48.75 80.42 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.568 -0.853 . . . . 1.0 110.255 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -50.34 -44.76 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 1.0 110.101 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.8 mmm180 -61.84 -44.32 97.07 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.932 -0.707 . . . . 1.0 109.375 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.76 75.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.78 -54.92 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.32 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.082 -0.647 . . . . 1.0 110.382 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 74' ' ' LEU . 27.6 mt -61.1 -49.08 78.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.19 0.519 . . . . 1.0 110.007 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -71.26 -22.22 62.0 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.189 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -68.14 -57.09 6.62 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.581 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.6 p90 -77.25 -29.01 53.81 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.693 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 25' ' ' TYR . 21.0 mt -61.49 -48.2 82.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.656 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.14 179.35 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.99 105.34 12.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.829 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.82 160.6 29.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.795 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.76 162.39 6.26 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.07 1.847 . . . . 1.0 111.978 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -107.57 134.86 49.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.094 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.42 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -58.77 139.41 86.43 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.817 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.472 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.3 Cg_endo -72.82 153.76 53.49 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.816 1.677 . . . . 1.0 112.114 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.2 m -105.31 85.53 2.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.759 -0.459 . . . . 1.0 109.759 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.82 166.56 28.85 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.416 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -87.27 47.43 1.53 Allowed 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.393 2.062 . . . . 1.0 111.577 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 178' ' ' LEU . 17.4 mt -44.02 155.57 0.34 Allowed Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.72 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 178' ' ' LEU . 19.4 Cg_exo . . . . . 0 N--CA 1.498 1.769 0 C-N-CA 121.218 1.279 . . . . 1.0 112.532 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.43 0.157 . . . . 1.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 m -59.83 148.05 36.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.391 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 m -62.12 -45.7 92.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.498 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.66 -42.18 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.716 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -57.72 -42.27 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.593 . . . . 1.0 109.598 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -64.41 -41.12 96.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.26 -41.62 89.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.026 0.441 . . . . 1.0 110.431 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.1 mt -66.35 -43.53 91.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 121.881 0.848 . . . . 1.0 109.724 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -58.18 -48.36 80.55 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.639 -0.663 . . . . 1.0 110.216 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.65 -43.02 97.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.619 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -65.75 -40.47 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.757 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.53 ' O ' ' OG1' ' A' ' 17' ' ' THR . 55.5 m -57.49 -50.61 72.5 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 tppt? -59.99 -41.5 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.4 -45.07 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.784 0.326 . . . . 1.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.5 p -63.24 -41.94 99.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.131 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.3 pt-20 -62.96 -39.45 94.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.542 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 72.0 mm-40 -66.61 -39.56 88.4 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 27.7 t0 -60.06 -38.02 81.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.836 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -66.42 -40.15 89.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.901 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 8.73 2.68 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.534 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp 68.13 29.45 6.21 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.553 0.533 . . . . 1.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -99.92 69.61 1.56 Allowed 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.4 0.619 . . . . 1.0 110.009 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.31 -40.6 78.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.765 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.35 -54.11 48.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.798 0.332 . . . . 1.0 110.953 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.03 -45.42 85.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.84 89.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.294 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.958 -0.297 . . . . 1.0 111.148 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -60.95 -41.85 97.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.666 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 35.0 mt -68.35 -39.25 81.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.534 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -59.52 -49.2 78.71 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.892 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.03 -40.34 97.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -65.36 -50.2 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.533 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.2 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.459 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.514 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.4 t -57.49 -43.07 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.639 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -54.8 -50.11 69.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.857 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -64.09 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.9 m-85 -60.52 -49.44 77.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.94 -36.07 82.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.293 0.568 . . . . 1.0 110.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.642 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 59.2 t-80 -70.95 -26.55 63.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.644 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -71.13 -47.81 55.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.327 0.584 . . . . 1.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 pt -68.29 -32.24 54.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -81.27 -51.24 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.657 0.614 . . . . 1.0 112.657 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 11.4 m-85 -84.45 -14.12 50.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.404 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 19.3 mm-40 -122.72 164.4 18.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.686 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.552 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -108.64 150.07 28.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.802 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 91.2 m-70 -161.04 -177.66 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.0 m -79.28 175.02 10.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 23.6 p-10 -68.64 -55.49 11.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 23.0 mtmm -56.72 -27.76 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -68.08 -55.18 13.44 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -48.02 78.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.474 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -57.0 -36.11 70.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.272 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -64.52 -42.59 95.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.028 0.442 . . . . 1.0 110.262 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.3 mm -68.26 -46.38 81.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.291 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -60.32 -58.87 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.212 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.79 61.07 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.081 0.467 . . . . 1.0 110.586 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -62.38 -42.64 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 m -52.86 -40.42 63.41 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.98 -47.81 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -55.99 -46.87 78.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -62.84 -50.71 69.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.135 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.5 mt -59.54 -48.7 80.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.773 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.21 -46.52 62.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.613 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 12.3 mmm180 -59.72 -45.23 92.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.079 0.466 . . . . 1.0 110.168 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.75 90.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.281 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.84 -55.03 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.073 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.613 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 5.5 pttm -61.67 -37.27 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.515 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.1 mt -59.15 -49.26 78.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -72.64 -23.16 60.87 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.335 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.72 -56.8 10.14 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.2 p90 -78.21 -28.43 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.686 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.5 mt -60.74 -49.39 77.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-O 121.033 0.444 . . . . 1.0 110.208 178.624 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.4 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 97.2 mt . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 120.959 0.409 . . . . 1.0 110.343 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -130.9 113.82 14.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.509 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.21 160.98 25.0 Favored Pre-proline 0 C--O 1.233 0.194 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.983 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.77 158.59 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.328 2.019 . . . . 1.0 112.09 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.29 129.13 53.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.388 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.29 136.35 30.63 Favored Pre-proline 0 N--CA 1.451 -0.403 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.912 -179.262 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.415 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.1 Cg_endo -72.68 154.65 54.5 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.269 1.979 . . . . 1.0 112.713 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 74.5 m -110.79 84.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 176' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 178' ' ' LEU . 37.4 mm-40 -86.46 167.88 21.11 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.833 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -65.3 37.88 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.513 2.142 . . . . 1.0 111.761 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' B' ' 176' ' ' GLU . 28.3 mt -42.58 140.19 1.81 Allowed Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.269 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 C--N 1.306 -1.682 0 C-N-CA 122.313 2.008 . . . . 1.0 112.692 -179.033 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 1.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.1 t -65.58 156.33 33.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.39 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 1.0 109.984 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.52 -43.93 88.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.192 0.52 . . . . 1.0 110.79 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -61.02 -45.14 95.99 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.572 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.414 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.73 -43.95 81.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.843 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.85 -41.85 94.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.295 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -61.51 -46.07 91.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.329 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.94 -44.92 94.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.431 -0.349 . . . . 1.0 111.423 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.92 -34.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 17' ' ' THR . 51.6 m -58.16 -49.95 75.2 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.616 0.722 . . . . 1.0 109.198 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -40.62 98.18 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.722 -0.791 . . . . 1.0 109.395 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.1 65.62 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.461 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.9 p -66.11 -37.46 85.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.519 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -41.18 93.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.655 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.0 -41.28 91.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.649 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.6 -41.49 85.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.64 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.6 mttt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.232 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 13.63 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.619 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' LYS . 71.6 mmtt 64.62 30.27 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.333 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -104.05 69.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.288 0.566 . . . . 1.0 109.63 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.2 m-85 -56.83 -45.17 82.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.554 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.7 -53.68 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.572 -0.451 . . . . 1.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 40.0 tt0 -63.21 -45.26 92.52 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.241 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.27 81.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -59.91 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.692 0.282 . . . . 1.0 110.973 -179.305 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -59.08 -44.33 91.88 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.552 -0.859 . . . . 1.0 109.848 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.1 -40.82 95.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.61 -48.32 82.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.909 0.385 . . . . 1.0 111.118 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -63.34 -44.14 95.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.892 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -60.81 -49.38 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.584 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.18 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.0 t -57.6 -44.45 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.095 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -54.77 -49.33 71.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.319 -0.553 . . . . 1.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.91 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.959 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.6 m-85 -61.24 -49.92 75.15 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.275 0.559 . . . . 1.0 110.939 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 77.1 mt -63.51 -41.11 98.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.623 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 21.9 t60 -62.6 -37.17 85.22 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.376 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.2 -46.43 80.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.422 HG22 ' HZ3' ' A' ' 53' ' ' LYS . 15.8 pt -63.91 -34.75 70.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 C-N-CA 119.52 -0.872 . . . . 1.0 111.372 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 55.7 mttm -83.93 -46.79 11.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 63.2 m-85 -91.54 -18.49 24.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.762 -0.654 . . . . 1.0 112.032 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 73.4 mm-40 -118.17 130.37 56.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.203 0.525 . . . . 1.0 109.596 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.26 144.13 44.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.614 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 29.3 m-70 -155.61 -169.25 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.572 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.0 m -95.54 143.2 27.05 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.827 0.346 . . . . 1.0 110.577 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -45.4 -38.74 6.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.033 0.444 . . . . 1.0 110.41 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -63.21 -38.88 92.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -62.02 -54.95 34.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.162 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HE2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -48.72 -53.39 19.08 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 120.437 -0.505 . . . . 1.0 109.905 -178.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -41.98 63.53 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.646 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.1 t -62.4 -43.73 98.12 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.582 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.86 -44.59 85.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.612 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.76 -40.34 94.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.791 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -67.35 -49.92 62.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.842 0.829 . . . . 1.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -66.7 -36.23 82.0 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.11 -0.636 . . . . 1.0 110.396 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.9 m -55.9 -50.86 69.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.237 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.06 -29.74 48.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.689 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -69.73 -45.69 67.61 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.294 -0.562 . . . . 1.0 110.849 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -62.22 -48.72 78.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.549 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.2 mt -60.75 -49.5 77.24 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.913 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -50.26 -44.98 53.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.171 -0.611 . . . . 1.0 110.063 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.66 -45.22 94.98 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 119.884 -0.727 . . . . 1.0 109.915 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -62.17 -31.68 72.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.962 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.56 -54.83 14.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.676 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.97 -35.64 77.32 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.836 -0.746 . . . . 1.0 109.866 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 25' ' ' TYR . 21.4 mt -59.97 -47.48 85.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.098 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.4 ttpt -71.13 -22.86 62.01 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.058 -0.974 . . . . 1.0 111.449 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.27 -56.65 7.9 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 112.823 0.675 . . . . 1.0 112.823 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.599 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 8.0 p90 -76.37 -30.29 57.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.56 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.0 mt -58.67 -48.13 82.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 . . . . . 0 N--CA 1.446 -0.672 0 C-N-CA 120.635 -0.426 . . . . 1.0 109.906 179.21 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 110.133 -0.321 . . . . 1.0 110.133 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -120.2 103.68 9.45 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.932 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.8 mt -94.64 162.29 26.13 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.229 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.24 161.86 8.46 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.864 1.71 . . . . 1.0 112.052 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -107.32 125.01 50.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.96 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -54.07 136.83 57.69 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.024 -179.147 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.461 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.5 Cg_endo -73.18 155.44 51.89 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.178 1.919 . . . . 1.0 111.6 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 33.0 p -130.93 85.26 2.26 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -86.42 171.86 9.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.448 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -70.62 43.58 0.45 Allowed 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 122.002 1.801 . . . . 1.0 111.637 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.639 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.4 OUTLIER -96.82 148.85 35.03 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.023 -179.065 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 N--CA 1.497 1.692 0 C-N-CA 121.983 1.788 . . . . 1.0 112.097 -179.29 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.819 0.342 . . . . 1.0 110.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 m -56.8 154.85 8.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -61.22 -48.17 82.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 1.0 110.368 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.64 -41.93 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.799 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -57.03 -44.94 83.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.7 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -63.5 -39.18 93.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.47 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.28 -43.02 92.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.259 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 13' ' ' VAL . 89.5 mt -65.96 -41.19 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.973 0.892 . . . . 1.0 109.982 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.81 -45.88 92.71 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.278 -0.889 . . . . 1.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.63 -43.11 94.77 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.24 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -66.78 -39.56 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.845 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -58.52 -47.95 82.47 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.565 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' HD23 ' A' ' 31' ' ' LEU . 20.1 ttpt -63.13 -38.25 90.43 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 119.321 -0.951 . . . . 1.0 109.079 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HD3' ' B' ' 174' ' ' PRO . 82.0 p -63.79 -38.86 92.66 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.176 -0.61 . . . . 1.0 110.795 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -39.75 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.456 -0.898 . . . . 1.0 110.17 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 1.0 110.671 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.11 -42.34 76.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 23' ' ' LYS . 20.9 mttt -65.25 -39.87 93.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.681 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.12 11.73 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.793 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 21' ' ' LYS . 42.6 mmtm 65.07 26.93 12.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.205 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.22 66.96 1.83 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.19 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.9 m-85 -55.91 -40.91 73.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.583 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HB3' HH12 ' A' ' 30' ' ' ARG . 64.7 mt-10 -61.51 -53.23 59.06 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.549 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.35 -46.9 78.37 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.24 -0.584 . . . . 1.0 109.864 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.82 -44.72 78.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.202 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 tp -58.32 -46.51 86.04 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 26' ' ' GLU . 83.0 mtt85 -57.17 -47.74 80.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.573 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mp -62.97 -39.52 94.95 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.618 0.246 . . . . 1.0 111.503 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -60.31 -50.17 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.802 -0.759 . . . . 1.0 110.682 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.86 -42.99 99.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.569 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -63.31 -50.69 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -50.16 57.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.59 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.5 t -57.43 -44.15 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.426 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.972 0.415 . . . . 1.0 110.691 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.09 -38.42 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.9 m-85 -61.11 -47.61 85.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.04 0.448 . . . . 1.0 110.267 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.428 0.632 . . . . 1.0 109.658 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 34.3 t-80 -69.42 -22.8 63.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.097 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -74.88 -47.46 29.94 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.334 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 13.3 pt -66.1 -31.84 55.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 120.136 -0.626 . . . . 1.0 111.705 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.54 -47.21 14.55 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 112.777 0.658 . . . . 1.0 112.777 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.614 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 47.4 m-85 -94.95 -16.09 23.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.91 -177.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 42' ' ' ALA . 41.7 mm-40 -124.31 36.23 4.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 121.254 -0.178 . . . . 1.0 110.622 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -20.47 129.63 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.974 0.796 . . . . 1.0 110.686 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.853 ' H ' ' HZ2' ' A' ' 53' ' ' LYS . 15.9 m80 -122.49 -143.71 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.089 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.468 ' H ' ' HB3' ' A' ' 48' ' ' HIS . 4.4 m -94.91 150.67 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.85 -40.31 28.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.481 . . . . 1.0 110.541 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.0 -41.58 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.656 -0.702 . . . . 1.0 109.931 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -62.42 -54.91 33.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.289 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.853 ' HZ2' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.08 -52.29 26.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.261 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -52.62 -42.04 64.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.798 -0.761 . . . . 1.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 t -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.894 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 10.5 mm -66.45 -45.2 89.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 120.731 -0.387 . . . . 1.0 110.647 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.88 -58.26 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.054 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.61 -52.9 35.15 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -62.42 -40.53 96.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 16.6 m -52.82 -40.46 63.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.78 -48.31 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.286 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -53.91 -46.52 71.47 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.333 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.1 m-85 -63.13 -48.51 78.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.476 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.59 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.0 mt -60.09 -49.15 78.79 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.461 -0.896 . . . . 1.0 110.328 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -50.67 -45.12 57.91 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.196 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.48 -43.89 98.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 119.784 -0.767 . . . . 1.0 109.549 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.95 78.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.635 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.23 -54.78 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.561 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -36.6 80.39 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.953 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.25 -48.94 79.14 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.351 0.596 . . . . 1.0 110.138 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.895 -1.048 . . . . 1.0 111.505 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.91 -56.33 9.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.857 0.688 . . . . 1.0 112.857 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.2 p90 -77.86 -27.91 49.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 118.876 -1.129 . . . . 1.0 109.46 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.5 mt -60.59 -49.43 77.55 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.266 -0.974 . . . . 1.0 109.681 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 . . . . . 0 N--CA 1.447 -0.614 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.425 179.803 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 121.404 0.621 . . . . 1.0 110.245 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 169' ' ' GLU . . . . . 0.47 ' C ' HD22 ' B' ' 170' ' ' LEU . 80.4 tt0 -134.3 113.95 12.49 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.414 -0.812 . . . . 1.0 109.903 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 170' ' ' LEU . . . . . 0.588 HD11 ' CE1' ' A' ' 39' ' ' PHE . 3.3 mm? -108.32 153.67 41.83 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.388 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -92.3 179.17 1.36 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.548 1.498 . . . . 1.0 111.397 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.81 130.59 56.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.991 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 173' ' ' VAL . . . . . 0.418 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -65.25 137.57 96.88 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.794 -179.237 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.43 ' HD3' HG22 ' A' ' 17' ' ' THR . 72.5 Cg_endo -72.85 150.53 49.7 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.869 1.712 . . . . 1.0 112.112 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 19.9 p -116.43 84.47 2.13 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.143 0.497 . . . . 1.0 109.993 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.14 169.99 12.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.623 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -87.31 84.32 0.9 Allowed 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.98 1.786 . . . . 1.0 110.841 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 179' ' ' PRO . 25.6 mt -73.0 140.66 80.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.7 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 178' ' ' LEU . 89.2 Cg_exo . . . . . 0 N--CA 1.497 1.697 0 C-N-CA 121.952 1.768 . . . . 1.0 112.601 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.933 0.396 . . . . 1.0 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -74.75 151.32 39.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.068 0.461 . . . . 1.0 110.499 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.254 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 6' ' ' LEU . 35.1 tp -64.15 -43.76 94.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.781 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -55.07 -46.63 75.43 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.236 -0.654 . . . . 1.0 109.236 179.764 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -59.45 -40.66 87.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.949 -0.76 . . . . 1.0 108.949 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.9 -50.5 72.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.357 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.626 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.8 mt -64.61 -42.78 96.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 121.874 0.845 . . . . 1.0 109.723 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.66 -47.42 85.68 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.167 -0.958 . . . . 1.0 110.438 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.11 -42.92 96.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.268 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.5 p -64.08 -38.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.385 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 17' ' ' THR . 71.2 m -58.84 -45.37 90.2 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.029 -0.73 . . . . 1.0 109.029 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -42.07 98.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.182 -0.673 . . . . 1.0 109.182 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.34 -45.39 65.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.757 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.447 HG22 ' HD3' ' B' ' 174' ' ' PRO . 81.9 p -63.69 -40.41 96.73 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.899 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.89 -41.41 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.927 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 69.6 mm-40 -67.69 -41.28 83.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.023 0.44 . . . . 1.0 110.489 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.87 -41.16 86.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.882 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -65.84 -39.97 91.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.707 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 5.84 3.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.649 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt 70.25 26.87 4.25 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.938 0.774 . . . . 1.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.549 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -96.65 69.0 2.49 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.206 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.2 m-85 -56.89 -40.81 76.91 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.235 -0.291 . . . . 1.0 110.562 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.61 -53.82 51.16 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.13 0.49 . . . . 1.0 110.814 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 4.5 tp10 -65.26 -50.25 66.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.057 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.68 51.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.168 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 67' ' ' ALA . 11.0 tp -59.96 -43.03 95.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.719 0.295 . . . . 1.0 110.488 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 96.1 mtt180 -58.54 -46.03 87.66 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.624 -0.831 . . . . 1.0 110.58 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 31' ' ' LEU . 3.2 mm? -66.13 -39.28 89.75 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.665 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.54 -50.36 73.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.543 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.99 -41.35 99.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.538 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 30' ' ' ARG . 19.7 m80 -64.45 -51.6 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.82 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.01 -50.09 62.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.633 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 64' ' ' LEU . 55.1 t -57.55 -44.0 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.487 -178.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.16 -49.86 68.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.74 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.87 -37.88 89.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.104 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 11.5 m-85 -61.58 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.012 0.434 . . . . 1.0 110.673 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.59 -38.89 91.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.45 0.643 . . . . 1.0 109.782 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.627 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 t60 -65.61 -35.72 81.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.265 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.486 0.66 . . . . 1.0 111.835 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.414 HG12 ' H ' ' A' ' 43' ' ' ILE . 10.0 pt -65.28 -34.33 69.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 119.549 -0.86 . . . . 1.0 111.509 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -82.16 -47.53 12.41 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.636 0.606 . . . . 1.0 112.636 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 38.6 m-85 -90.41 -17.07 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.956 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 88.8 mt-10 -121.97 136.94 54.96 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -85.5 144.53 27.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.581 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 91.4 m-70 -160.12 156.86 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.63 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -58.18 155.82 10.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.39 . . . . 1.0 110.466 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -57.53 -30.08 64.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.53 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 59.1 mttp -68.05 -41.52 81.91 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.951 0.881 . . . . 1.0 109.928 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.963 ' HB1' HD12 ' B' ' 168' ' ' ILE . . . -68.9 -45.15 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.612 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' HE3' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -58.52 -55.02 40.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.377 . . . . 1.0 111.721 -178.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 17.0 pt-20 -54.78 -36.35 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.132 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.081 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 52' ' ' ALA . 15.5 mm -65.09 -47.25 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.394 -0.522 . . . . 1.0 111.002 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -56.42 -57.24 13.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.169 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.69 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.704 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -59.88 -42.94 94.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.845 -179.128 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.86 -41.31 64.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.46 -0.791 . . . . 1.0 109.559 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.49 -49.17 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.929 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.27 -46.54 76.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.483 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.7 m-85 -63.13 -50.46 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -59.91 -47.56 85.26 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.535 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -52.21 -47.2 65.74 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.421 -0.511 . . . . 1.0 110.268 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.86 -44.44 94.13 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.75 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 29' ' ' LEU . . . -62.43 -38.88 91.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.545 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.62 -54.59 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.425 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -60.97 -34.76 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.039 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.97 -47.72 85.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.2 0.524 . . . . 1.0 110.119 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -69.5 -26.52 64.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.597 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.66 -55.91 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.874 0.694 . . . . 1.0 112.874 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.1 p90 -77.9 -30.45 50.68 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.437 -0.905 . . . . 1.0 110.448 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.3 mt -59.79 -49.92 75.83 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 179.434 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 168' ' ' ILE . . . . . 0.963 HD12 ' HB1' ' A' ' 52' ' ' ALA . 13.0 mt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.924 0.392 . . . . 1.0 110.059 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.94 102.05 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.949 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.27 164.98 30.93 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.815 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -89.06 168.71 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.099 1.866 . . . . 1.0 111.808 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -101.02 147.88 25.69 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.525 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.91 135.85 44.92 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.92 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 174' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.4 Cg_endo -72.41 153.45 55.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.953 1.769 . . . . 1.0 111.943 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 85.86 2.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.789 -0.449 . . . . 1.0 109.789 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -86.19 165.63 32.85 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.923 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -72.61 68.76 3.62 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.837 1.692 . . . . 1.0 111.829 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 178' ' ' LEU . . . . . 0.618 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.3 OUTLIER -122.24 147.67 50.14 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 110.075 -0.342 . . . . 1.0 110.075 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 179' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' B' ' 178' ' ' LEU . 74.9 Cg_exo . . . . . 0 N--CA 1.493 1.459 0 C-N-CA 122.294 1.996 . . . . 1.0 112.501 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.987 0.422 . . . . 1.0 110.413 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -61.65 -43.87 98.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.206 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.51 -43.0 95.45 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.44 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.23 -43.62 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -63.12 -41.55 99.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.8 -47.94 79.08 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.327 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 13' ' ' VAL . 85.6 mt -63.84 -42.43 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.052 0.929 . . . . 1.0 109.712 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -58.88 -48.54 81.05 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.325 -0.859 . . . . 1.0 110.575 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.97 -42.5 97.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.454 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -66.84 -40.13 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 1.0 110.609 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 m -56.56 -51.75 67.4 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 1.0 109.102 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.8 ttpt -61.01 -41.58 96.83 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.188 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.6 -43.9 62.65 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 ' HD3' ' B' ' 174' ' ' PRO . 63.3 p -64.86 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.653 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -63.39 -38.91 92.98 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.024 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.76 -40.62 84.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.85 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 41.5 t0 -58.86 -41.33 86.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.723 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 23' ' ' LYS . 23.2 mttt -66.29 -39.44 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.18 8.3 1.73 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.489 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.0 mmtt 68.33 29.35 5.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.14 69.38 1.15 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.759 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.54 -40.04 77.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.432 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -54.16 44.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.991 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -63.88 -45.14 90.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.418 -0.513 . . . . 1.0 109.782 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.49 90.97 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.218 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.79 -45.73 91.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.325 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 30' ' ' ARG . 36.1 mtp-105 -60.25 -43.58 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.682 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 67.8 mt -67.33 -38.89 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.614 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.26 -47.75 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 1.0 110.604 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.45 -40.27 96.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.361 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.603 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.27 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.242 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.9 t -57.13 -43.33 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.633 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -54.91 -49.13 72.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.989 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.45 -38.69 91.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.648 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -60.89 -48.49 81.56 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.128 0.49 . . . . 1.0 110.593 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.39 -37.85 88.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.496 0.665 . . . . 1.0 110.065 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -67.61 -31.15 70.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.572 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.25 -47.11 68.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.722 0.772 . . . . 1.0 111.683 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 10.1 pt -66.16 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.995 -0.682 . . . . 1.0 111.804 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt . . . . . 0 CA--C 1.514 -0.415 0 N-CA-C 112.795 0.665 . . . . 1.0 112.795 -179.765 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.217 -0.639 0 N-CA-C 109.732 -0.47 . . . . 1.0 109.732 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.7 mptp? -53.84 -49.9 67.4 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.473 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.02 -39.21 68.87 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -62.23 -44.4 96.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.324 -0.551 . . . . 1.0 110.004 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -67.61 -45.06 85.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.293 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.46 -36.68 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.857 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.31 -50.68 36.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.058 0.932 . . . . 1.0 110.766 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -66.82 -36.46 82.42 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.787 -0.571 . . . . 1.0 110.335 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.3 m -56.48 -50.78 70.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.214 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -63.34 -28.99 46.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.663 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -71.09 -46.36 61.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.509 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.7 m-85 -62.82 -48.17 80.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.585 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.4 mt -60.35 -49.83 76.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.06 -0.656 . . . . 1.0 110.445 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.73 -45.78 49.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.536 -0.466 . . . . 1.0 109.852 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HG3' HG11 ' B' ' 173' ' ' VAL . 18.9 mmm180 -61.25 -44.06 97.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.422 0.629 . . . . 1.0 109.627 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.77 81.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.205 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.33 -55.59 23.34 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.333 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.26 -37.1 81.92 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.45 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.4 mt -60.1 -47.97 83.66 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.417 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -72.65 -22.81 60.88 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.193 -0.912 . . . . 1.0 110.7 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.81 -56.66 9.44 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.673 0.619 . . . . 1.0 112.673 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.7 p90 -76.72 -29.28 56.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.297 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.7 mt . . . . . 0 C--N 1.33 -0.281 0 C-N-CA 120.21 -0.596 . . . . 1.0 109.441 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 N--CA 1.496 1.662 0 CA-C-O 120.889 0.287 . . . . 1.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -115.32 126.32 54.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.291 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.472 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.34 143.12 19.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.772 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.467 ' HD3' HG22 ' A' ' 17' ' ' THR . 59.6 Cg_endo . . . . . 0 N--CA 1.492 1.42 0 C-N-CA 122.121 1.881 . . . . 1.0 111.808 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.991 0.424 . . . . 1.0 110.405 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.86 -40.73 94.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.106 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.23 -45.52 84.33 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.076 0.465 . . . . 1.0 110.743 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -58.73 -43.4 90.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.359 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -64.25 -44.26 92.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.657 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.26 -46.6 79.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.238 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.98 -42.65 96.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-O 121.927 0.87 . . . . 1.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.24 -47.92 82.02 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 121.567 -0.708 . . . . 1.0 110.682 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.46 -44.08 95.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.34 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.4 p -67.09 -39.51 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.777 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.4 m -56.81 -51.54 68.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.418 0.628 . . . . 1.0 109.398 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.3 ttpt -62.65 -41.2 98.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.445 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.05 -43.54 63.82 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.404 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 14' ' ' THR . 38.0 p -65.46 -38.83 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.737 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -65.66 -37.41 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.661 . . . . 1.0 110.288 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.69 -40.55 76.29 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.591 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.33 -41.34 88.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.166 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.3 mttt -66.1 -38.81 89.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.041 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 9.88 1.43 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.57 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 40.7 mmtm 67.25 27.66 8.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.767 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.18 68.4 1.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 1.0 109.903 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.5 m-85 -56.85 -42.81 80.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 81.0 mt-10 -59.74 -55.34 35.56 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.266 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -63.55 -45.37 90.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.334 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.22 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.262 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 37.6 tp -58.25 -46.51 85.84 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 121.019 -0.272 . . . . 1.0 111.147 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -59.33 -42.94 92.65 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.476 -178.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 54.1 mt -68.05 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.462 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.36 -49.34 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.56 -42.31 98.35 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.666 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -63.95 -50.12 69.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.728 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.67 71.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.621 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.511 HG21 ' HG ' ' A' ' 64' ' ' LEU . 37.1 t -57.31 -43.0 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.342 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -55.67 -48.59 74.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -62.7 -38.99 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.569 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.9 m-85 -61.68 -51.17 69.54 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.111 0.481 . . . . 1.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.43 -38.75 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -66.05 -34.1 77.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.497 0.665 . . . . 1.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.24 -46.7 79.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.804 0.812 . . . . 1.0 111.565 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -66.95 -33.59 64.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.527 -0.469 . . . . 1.0 111.595 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.229 0.538 . . . . 1.0 112.124 -179.699 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.218 -0.581 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -53.92 14.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.609 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.56 -40.58 60.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.029 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -63.99 -42.87 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 52' ' ' ALA . 14.7 mm -66.92 -46.58 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.501 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.61 -59.25 5.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 1.0 110.251 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.28 45.8 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.956 0.408 . . . . 1.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 17.6 mmmt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.51 -40.6 62.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.729 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.13 -48.55 83.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 1.0 109.838 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -54.66 -46.37 73.99 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.496 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.48 -51.04 69.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.999 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.8 mt -58.89 -51.24 70.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.268 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -47.33 -47.81 25.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.233 -0.284 . . . . 1.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 31.3 mmm-85 -59.68 -44.61 93.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.41 0.624 . . . . 1.0 110.09 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.93 -37.14 81.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.485 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.55 -56.18 15.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -59.18 -36.96 76.25 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 120.84 0.352 . . . . 1.0 110.308 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.8 mt -60.18 -47.37 86.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.559 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -72.17 -23.25 61.25 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.43 -0.805 . . . . 1.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.46 -57.34 7.57 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.454 0.645 . . . . 1.0 112.698 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.61 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -78.12 -27.99 48.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.408 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt . . . . . 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . 0.43 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 33.8 Cg_endo . . . . . 0 N--CA 1.493 1.482 0 CA-C-O 120.81 0.254 . . . . 1.0 112.217 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' B' ' 173' ' ' VAL . 11.9 tm-20 -100.24 125.73 46.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.664 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.406 ' O ' ' OE2' ' B' ' 172' ' ' GLU . 0.0 OUTLIER -53.47 134.29 53.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.929 -179.366 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.449 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.8 Cg_endo . . . . . 0 C--N 1.309 -1.5 0 C-N-CA 122.399 2.066 . . . . 1.0 112.34 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 m . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.925 0.393 . . . . 1.0 110.23 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -61.59 -43.1 99.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.023 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.07 -45.5 85.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.237 0.541 . . . . 1.0 110.74 -179.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -59.16 -41.95 89.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.379 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -43.78 91.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.7 -46.18 84.7 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.287 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.5 mt -63.08 -42.18 95.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-O 121.99 0.9 . . . . 1.0 109.609 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.15 -48.5 81.39 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.205 -0.934 . . . . 1.0 110.635 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.27 -42.99 99.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.306 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.7 p -66.53 -39.82 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.613 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 16.4 m -57.16 -51.8 67.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.65 0.738 . . . . 1.0 109.354 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -61.03 -40.8 94.98 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.7 -0.8 . . . . 1.0 108.952 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.24 64.41 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.389 -0.525 . . . . 1.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 45.6 p -64.53 -41.32 96.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.907 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -40.66 96.75 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.257 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.97 -0.559 . . . . 1.0 109.803 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.13 -39.29 85.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.913 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 23' ' ' LYS . 56.3 mttt -66.16 -39.91 90.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 1.0 109.862 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 9.89 1.48 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.762 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.5 mmtt 66.61 28.41 9.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.677 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.71 69.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.319 0.581 . . . . 1.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.72 -40.64 84.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.2 -53.09 61.28 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.428 -0.509 . . . . 1.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.97 -45.36 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.94 90.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.35 -45.63 90.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.086 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.87 -44.28 94.27 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.541 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.9 mt -66.33 -38.93 88.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.773 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.36 -48.25 82.34 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.728 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.35 -41.19 98.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.556 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -64.38 -49.59 71.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -52.03 -49.2 63.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.091 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.6 t -57.73 -43.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.377 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.66 -49.51 70.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.748 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.57 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.619 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.3 m-85 -61.41 -48.63 80.34 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.434 0.635 . . . . 1.0 110.669 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.866 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 84.2 mt -63.01 -40.08 96.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.636 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -64.4 -36.44 84.15 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.24 0.543 . . . . 1.0 110.732 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.43 -46.57 82.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.323 0.582 . . . . 1.0 112.482 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' H ' HG12 ' A' ' 43' ' ' ILE . 15.3 pt -63.46 -33.17 59.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 121.566 -0.709 . . . . 1.0 111.775 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 17.0 mtpt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 112.821 0.675 . . . . 1.0 112.821 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.22 -0.461 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.664 ' NZ ' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -47.58 -52.87 16.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 119.831 -0.748 . . . . 1.0 110.727 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.14 -39.78 63.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.867 -0.733 . . . . 1.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -63.84 -43.16 96.98 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.07 -0.652 . . . . 1.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.9 mm -67.69 -46.47 82.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.721 -0.391 . . . . 1.0 110.481 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.33 -58.24 9.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.03 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.07 -50.14 62.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.495 0.664 . . . . 1.0 110.42 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -63.16 -41.82 99.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.2 m -52.42 -38.69 59.71 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.75 -47.81 84.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -55.65 -47.56 76.46 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.529 -0.468 . . . . 1.0 110.277 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.18 -50.22 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.715 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.9 mt -59.72 -48.0 83.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.983 -0.687 . . . . 1.0 110.42 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -51.02 -45.03 61.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 30.5 mmm-85 -60.94 -44.42 97.29 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.57 81.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.457 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -63.87 -54.8 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.299 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.4 ptmt -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.164 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 74' ' ' LEU . 26.7 mt -60.39 -48.44 81.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.537 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -72.03 -23.61 61.41 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.954 -1.021 . . . . 1.0 110.842 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -65.79 -56.27 12.81 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 p90 -78.12 -29.11 48.69 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.268 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.7 mt . . . . . 0 N--CA 1.465 0.295 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.1 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo . . . . . 0 N--CA 1.499 1.801 0 CA-C-O 120.596 0.165 . . . . 1.0 111.94 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -110.0 137.44 47.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.166 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.57 138.58 93.68 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.828 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.481 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 72.7 Cg_endo . . . . . 0 N--CA 1.492 1.415 0 C-N-CA 122.256 1.971 . . . . 1.0 111.86 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.857 0.361 . . . . 1.0 110.366 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.348 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.94 -45.39 81.99 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.395 0.616 . . . . 1.0 111.155 -179.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.21 -46.83 87.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.797 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -63.06 -43.89 97.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.481 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.35 -43.94 75.48 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.66 -41.54 92.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-O 122.017 0.913 . . . . 1.0 109.447 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -58.5 -47.35 84.39 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.512 -0.742 . . . . 1.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.6 -44.64 93.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.415 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 3.2 p -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.164 0.507 . . . . 1.0 111.204 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.6 m -59.05 -48.28 82.17 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.247 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.5 tppt? -60.31 -40.69 91.48 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.3 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -52.51 -45.83 66.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.513 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.679 HG22 ' HD3' ' B' ' 174' ' ' PRO . 52.9 p -63.33 -38.94 93.09 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.264 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -66.84 -38.29 86.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.91 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' CB ' ' A' ' 24' ' ' ASN . 69.1 mm-40 -70.93 -47.19 60.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.683 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.86 -45.99 74.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.981 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 23' ' ' LYS . 43.1 mtmt -65.76 -36.1 82.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.861 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 8.14 1.79 Allowed 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.28 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.3 mmtp 69.42 31.2 3.88 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.849 0.718 . . . . 1.0 110.726 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' CB ' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -107.99 68.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 1.0 109.771 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 8.0 m-85 -54.55 -42.93 71.53 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -55.2 33.73 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 120.317 -0.553 . . . . 1.0 111.84 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -60.53 -45.26 94.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.05 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.5 81.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.102 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -45.4 93.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.786 -0.366 . . . . 1.0 111.245 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.99 -43.1 95.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.194 -0.602 . . . . 1.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -64.37 -42.53 96.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 122.353 -0.217 . . . . 1.0 111.404 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -60.31 -48.84 80.02 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.766 0.666 . . . . 1.0 111.554 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.64 -45.0 92.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.108 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.41 -48.42 79.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.595 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.69 76.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.637 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 64' ' ' LEU . 43.1 t -55.27 -42.67 67.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.409 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.07 -50.66 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.511 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -62.73 -39.85 95.39 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 1.0 110.703 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -60.82 -48.8 80.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.48 -39.03 93.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.469 0.652 . . . . 1.0 110.214 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -68.77 -21.87 64.32 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.615 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.07 -49.39 17.62 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 121.342 0.591 . . . . 1.0 111.255 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.0 pt -64.36 -30.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 C-N-CA 120.625 -0.43 . . . . 1.0 111.728 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm . . . . . 0 C--O 1.236 0.37 0 CA-C-O 121.228 0.537 . . . . 1.0 111.554 179.733 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.549 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -47.95 82.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.95 -0.3 . . . . 1.0 110.441 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -58.18 -35.61 71.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.068 0.461 . . . . 1.0 110.135 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.525 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 8.9 mm -69.3 -44.58 80.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.984 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.16 -41.73 97.03 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.113 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -66.76 -46.24 76.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.847 0.832 . . . . 1.0 110.879 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 1.0 OUTLIER -71.14 -35.67 71.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.311 0.577 . . . . 1.0 110.765 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 9.2 m -56.44 -47.39 79.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.724 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -66.06 -30.53 50.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.763 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -66.09 -44.99 82.79 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.353 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.72 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 26.0 m-85 -67.11 -42.4 84.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.76 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.9 mt -66.71 -28.19 68.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.263 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -69.29 -47.9 63.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 13.7 mmm180 -64.14 -40.05 95.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.54 0.686 . . . . 1.0 110.049 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.0 85.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -67.53 -56.71 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.444 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.54 -35.7 76.64 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 74' ' ' LEU . 16.0 mt -58.71 -46.68 86.78 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.147 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -72.71 -23.18 60.82 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.699 0.761 . . . . 1.0 109.869 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -66.94 -57.37 7.05 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.138 0.792 . . . . 1.0 113.138 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.5 p90 -77.05 -29.02 54.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.4 mt . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . 0.498 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 29.2 Cg_endo . . . . . 0 N--CA 1.495 1.564 0 CA-C-O 120.927 0.303 . . . . 1.0 111.949 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.03 126.36 51.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.589 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' B' ' 174' ' ' PRO . 0.0 OUTLIER -50.97 144.03 14.45 Favored Pre-proline 0 N--CA 1.443 -0.819 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.758 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.679 ' HD3' HG22 ' A' ' 17' ' ' THR . 7.2 Cg_exo . . . . . 0 C--N 1.304 -1.796 0 C-N-CA 122.31 2.007 . . . . 1.0 112.137 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.878 0.37 . . . . 1.0 110.121 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -60.87 -45.23 95.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.093 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.41 -42.98 78.19 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.078 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -58.46 -46.48 86.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 1.0 109.709 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -61.39 -37.66 84.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.615 -0.72 . . . . 1.0 109.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.21 -42.23 90.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.482 0.658 . . . . 1.0 110.081 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.0 -41.36 91.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.078 0.942 . . . . 1.0 110.062 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.65 -43.5 96.55 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.271 -0.572 . . . . 1.0 110.558 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.19 -45.02 90.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.722 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 63' ' ' TYR . 9.8 p -69.06 -34.2 62.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.616 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' ' 17' ' ' THR . 98.7 m -58.97 -48.24 82.25 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.837 0.827 . . . . 1.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -63.53 -41.78 98.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.434 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.79 -43.22 62.96 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 41.1 p -66.74 -36.27 82.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.439 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.97 -40.04 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.566 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.12 -42.12 73.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.18 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.28 -44.15 83.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.657 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 23' ' ' LYS . 38.6 mtmt -66.46 -38.32 87.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.773 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 11.91 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 21' ' ' LYS . 15.4 mmmt 66.02 22.64 11.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.526 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.15 69.68 2.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.569 0.699 . . . . 1.0 109.913 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.584 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 2.6 m-85 -55.39 -45.8 76.58 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.747 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.01 -54.1 50.88 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.685 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -63.96 -46.39 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.071 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.69 78.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.513 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -59.16 -46.75 87.56 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.939 -179.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -58.49 -42.92 88.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.736 -0.786 . . . . 1.0 110.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.6 mt -66.62 -40.64 88.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 1.0 110.785 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -60.83 -45.38 94.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.481 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -60.01 -49.32 78.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.273 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.66 65.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 64' ' ' LEU . 51.8 t -56.16 -45.64 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.366 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.58 -49.5 72.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.0 110.714 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.3 m-85 -63.74 -40.25 96.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.0 m-85 -61.54 -50.38 72.89 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.377 0.608 . . . . 1.0 110.18 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 81.7 mt -63.16 -42.5 99.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.921 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -64.45 -28.04 69.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.199 179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.49 -46.93 45.11 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 112.185 0.439 . . . . 1.0 112.185 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.41 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.9 pt -59.26 -29.47 41.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 120.143 -0.623 . . . . 1.0 111.198 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 112.374 0.509 . . . . 1.0 112.374 178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.729 0 CA-C-O 120.846 0.355 . . . . 1.0 110.43 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' NZ ' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -48.11 -53.1 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.08 -0.648 . . . . 1.0 110.743 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -52.59 -41.52 63.71 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.644 -0.822 . . . . 1.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -63.29 -44.05 96.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.591 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.8 mm -68.48 -44.4 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 121.044 0.45 . . . . 1.0 110.847 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.06 -38.46 88.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.75 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.61 -48.74 63.34 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 122.084 0.945 . . . . 1.0 110.546 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.588 0.709 . . . . 1.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.9 m -55.5 -51.42 67.06 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.142 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -63.82 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.832 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.27 -46.49 67.1 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.481 -0.487 . . . . 1.0 110.726 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 13' ' ' VAL . 28.0 m-85 -62.06 -49.04 77.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.702 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.8 mt -60.2 -50.75 72.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.661 -0.815 . . . . 1.0 109.771 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.699 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 62.9 t0 -48.94 -41.32 33.48 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.249 -0.648 . . . . 1.0 109.249 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -68.07 -46.55 70.74 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.526 -0.869 . . . . 1.0 110.929 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.5 -40.42 94.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.477 -177.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.699 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -64.71 -47.66 77.51 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -62.95 -33.71 75.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.84 -0.744 . . . . 1.0 109.565 -179.231 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HE2' ' A' ' 73' ' ' TYR . 32.4 mt -61.81 -45.1 95.3 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.362 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.419 ' N ' HD11 ' A' ' 29' ' ' LEU . 31.8 ttmt -70.93 -23.55 62.27 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.513 -1.221 . . . . 1.0 110.544 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -67.32 -57.09 7.28 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.761 0.791 . . . . 1.0 112.947 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.584 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.9 p90 -75.92 -29.97 58.58 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.42 -0.912 . . . . 1.0 110.176 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt . . . . . 0 C--O 1.238 0.47 0 C-N-CA 120.401 -0.519 . . . . 1.0 110.277 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo . . . . . 0 N--CA 1.494 1.55 0 CA-C-O 120.987 0.328 . . . . 1.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -108.6 143.6 37.43 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.343 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.415 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.65 134.75 92.54 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.94 -178.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.7 Cg_endo . . . . . 0 N--CA 1.491 1.331 0 C-N-CA 122.029 1.819 . . . . 1.0 111.786 178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.919 0.39 . . . . 1.0 110.407 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -61.17 -41.82 97.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.84 -45.7 85.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.253 0.549 . . . . 1.0 110.89 -179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.36 -44.6 88.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.437 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -63.1 -43.75 97.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.461 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.23 -47.65 78.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.229 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.3 mt -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.995 0.903 . . . . 1.0 109.786 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -59.58 -47.84 84.01 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.184 -0.948 . . . . 1.0 110.764 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.54 -42.57 95.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.176 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.3 p -66.78 -39.57 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.355 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.4 m -58.93 -48.87 79.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.465 0.65 . . . . 1.0 109.437 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.4 ttmt -61.05 -40.82 95.08 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.078 -0.712 . . . . 1.0 109.078 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -55.39 -42.58 74.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.324 -0.55 . . . . 1.0 111.059 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.9 p -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.175 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 3.3 pt-20 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.549 0.69 . . . . 1.0 110.473 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.57 -39.32 94.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.425 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.77 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.9 mttt -65.09 -40.28 94.37 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 10.81 1.26 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.499 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 66.17 28.22 10.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -99.12 69.64 1.74 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 121.32 0.581 . . . . 1.0 109.889 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 5.1 m-85 -57.25 -42.68 82.0 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 122.123 -0.361 . . . . 1.0 110.644 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.1 -53.16 61.03 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.002 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 14.0 tp10 -66.47 -43.64 84.91 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 121.906 0.86 . . . . 1.0 109.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.06 96.67 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.493 -0.754 . . . . 1.0 110.569 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.6 tp -59.12 -48.64 80.85 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.574 0.583 . . . . 1.0 112.574 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 12.4 ptm180 -60.84 -40.65 93.63 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.577 -0.849 . . . . 1.0 110.094 -178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 58.4 mt -64.82 -39.63 93.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.02 -47.88 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.21 -42.67 99.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.513 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.391 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.99 -49.42 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 64' ' ' LEU . 50.9 t -57.84 -45.37 87.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.255 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -53.32 -49.37 67.19 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 120.064 -0.654 . . . . 1.0 111.067 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.85 -37.99 86.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 17.6 m-85 -61.88 -50.05 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.034 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 HD11 ' A' ' 43' ' ' ILE . 3.7 mm? -61.39 -39.34 90.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.285 0.564 . . . . 1.0 110.26 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -67.01 -30.38 70.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.333 0.587 . . . . 1.0 110.062 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.97 -47.82 60.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.501 0.667 . . . . 1.0 111.333 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.871 HD11 HD13 ' A' ' 40' ' ' LEU . 18.6 pt -64.13 -32.38 57.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.969 -0.692 . . . . 1.0 111.248 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 CA--C 1.512 -0.491 0 CA-C-O 121.164 0.507 . . . . 1.0 112.289 179.709 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.215 -0.716 0 N-CA-C 109.704 -0.48 . . . . 1.0 109.704 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -52.2 52.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.755 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.72 -39.43 62.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.804 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 t -62.19 -44.13 97.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.836 -0.746 . . . . 1.0 110.415 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.533 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 18.6 mm -64.83 -49.17 81.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 120.865 0.364 . . . . 1.0 110.847 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -54.21 -58.1 8.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.251 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.26 57.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 1.0 110.64 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.1 tptt -60.71 -42.35 97.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.243 0.544 . . . . 1.0 110.941 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 92.3 m -52.88 -43.09 65.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.987 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.7 -48.84 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.82 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -54.48 -46.81 73.48 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.356 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.4 m-85 -62.48 -50.21 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.4 mt -59.79 -48.61 80.98 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.942 -0.703 . . . . 1.0 110.514 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -50.88 -45.67 60.13 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.48 -0.488 . . . . 1.0 109.928 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -60.0 -45.85 91.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.112 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.58 -36.97 79.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.731 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.75 -54.52 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.95 -36.52 81.66 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.219 -0.593 . . . . 1.0 110.553 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.3 mt -60.62 -48.92 79.64 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.176 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.67 -25.93 63.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.398 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -64.25 -55.16 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.7 p90 -78.72 -30.26 45.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.573 -0.851 . . . . 1.0 110.631 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.9 mt . . . . . 0 C--N 1.33 -0.241 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.199 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo . . . . . 0 N--CA 1.498 1.741 0 CA-C-O 120.81 0.254 . . . . 1.0 111.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.53 120.82 42.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.093 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.414 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.77 134.58 36.75 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.749 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.414 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.1 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 C-N-CA 122.223 1.949 . . . . 1.0 112.062 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 1.0 110.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -60.57 -43.76 96.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.191 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.92 -44.26 85.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.616 0.722 . . . . 1.0 110.84 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.62 -43.17 99.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.497 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -65.56 -44.09 87.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.624 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.208 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.2 mt -65.02 -40.47 89.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 122.059 0.933 . . . . 1.0 109.59 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -60.71 -44.77 96.18 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.517 -0.74 . . . . 1.0 110.403 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.04 -43.79 91.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.481 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.93 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 12.3 m -57.06 -50.71 71.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.607 0.718 . . . . 1.0 109.147 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 26.2 ttpt -64.24 -41.52 96.95 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.112 -0.635 . . . . 1.0 109.455 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.92 -44.41 63.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.913 -0.492 . . . . 1.0 110.592 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 14' ' ' THR . 35.0 p -64.81 -38.27 90.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.768 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.04 -38.76 89.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.404 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 68.8 mm-40 -67.02 -39.92 87.13 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.614 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 38.9 t0 -58.42 -41.38 84.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.788 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 23' ' ' LYS . 51.8 mttt -65.63 -40.45 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 12.57 0.69 Allowed 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.546 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.9 mmtt 64.68 29.08 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.817 0.698 . . . . 1.0 110.859 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -100.77 67.03 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.0 109.865 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.627 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.0 m-85 -56.47 -43.24 79.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -59.18 -53.51 57.51 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.491 -0.484 . . . . 1.0 111.202 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.41 -46.21 80.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.302 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.2 84.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.212 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.549 HD21 ' HZ3' ' A' ' 71' ' ' LYS . 41.7 tp -58.73 -47.42 84.66 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.311 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.03 -42.86 86.24 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.169 -0.612 . . . . 1.0 110.625 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 72.7 mt -67.73 -39.02 84.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.798 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -59.48 -48.99 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.922 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.42 HE22 ' NZ ' ' A' ' 71' ' ' LYS . 87.6 mt-30 -62.57 -44.18 96.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.628 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -61.28 -49.43 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -48.55 70.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG21 ' HG ' ' A' ' 64' ' ' LEU . 36.4 t -55.0 -44.57 74.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -55.17 -49.34 72.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.475 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -62.84 -39.25 93.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 20.7 m-85 -60.98 -50.54 72.97 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.5 0.667 . . . . 1.0 110.697 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.86 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 57.9 mt -62.73 -41.06 98.99 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.507 -0.769 . . . . 1.0 109.713 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -62.76 -34.33 77.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.18 0.514 . . . . 1.0 110.96 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.8 78.17 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.669 0.747 . . . . 1.0 112.575 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.1 pt -63.14 -34.01 64.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 O-C-N 121.675 -0.64 . . . . 1.0 111.952 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.86 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.0 mtpt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 112.619 0.6 . . . . 1.0 112.619 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.222 -0.393 0 N-CA-C 110.156 -0.312 . . . . 1.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -46.76 -54.43 9.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.13 -41.11 64.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.568 . . . . 1.0 109.589 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -62.51 -44.25 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.114 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.59 -44.61 86.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.358 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.02 -38.71 92.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.98 -50.9 44.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.758 0.79 . . . . 1.0 110.502 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -65.38 -37.66 87.66 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.716 -0.615 . . . . 1.0 110.455 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -55.07 -50.33 69.42 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.971 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 58' ' ' ALA . 1.1 p -63.13 -29.88 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.552 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.0 -46.89 64.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.349 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.8 m-85 -62.33 -48.5 79.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.557 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.3 mt -60.04 -51.08 71.19 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.015 -0.674 . . . . 1.0 110.274 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.46 -46.56 38.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 31.9 mmm-85 -60.88 -44.59 96.88 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.19 -0.604 . . . . 1.0 109.875 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.25 -34.19 74.74 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.373 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.35 -55.55 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 ptmm? -60.11 -37.18 79.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.491 -0.483 . . . . 1.0 110.165 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.7 mt -60.85 -48.41 81.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.376 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HZ3' HD21 ' A' ' 29' ' ' LEU . 12.6 ttmm -70.93 -23.38 62.24 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.903 -1.044 . . . . 1.0 110.451 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.25 -57.39 6.77 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.627 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.6 p90 -75.72 -29.58 58.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.323 -0.853 . . . . 1.0 109.915 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.1 mt . . . . . 0 C--O 1.233 0.216 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.496 1.646 0 CA-C-O 120.714 0.214 . . . . 1.0 112.149 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -106.34 126.47 52.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.114 0.483 . . . . 1.0 110.286 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.42 136.27 32.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.804 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.484 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 59.4 Cg_endo . . . . . 0 C--N 1.313 -1.319 0 C-N-CA 122.253 1.969 . . . . 1.0 111.956 179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 CA--C 1.521 -0.145 0 CA-C-O 120.85 0.357 . . . . 1.0 110.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -61.66 -44.04 97.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.296 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.59 -46.53 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.466 0.65 . . . . 1.0 110.772 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.27 -44.9 88.61 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.501 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -63.67 -43.26 97.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.204 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.21 -44.29 79.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.987 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.8 -42.31 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 122.181 0.991 . . . . 1.0 109.672 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -59.86 -48.69 80.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.392 -0.818 . . . . 1.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.05 -43.45 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.019 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.517 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 p -67.8 -39.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 17' ' ' THR . 46.8 m -56.47 -50.84 70.54 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.743 0.783 . . . . 1.0 109.415 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.27 -40.38 93.88 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.442 -0.903 . . . . 1.0 109.237 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -52.3 -42.26 63.62 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.236 -0.586 . . . . 1.0 110.729 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 14' ' ' THR . 70.3 p -66.56 -40.16 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.626 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.71 -41.21 99.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.674 0.75 . . . . 1.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.8 -41.76 91.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.165 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.7 -41.63 86.71 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.927 -0.578 . . . . 1.0 109.669 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.7 mttt -66.26 -38.97 89.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.907 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 11.43 0.79 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.514 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 21' ' ' LYS . 16.0 mmmt 65.99 29.57 10.09 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.587 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -103.18 71.2 1.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.464 0.649 . . . . 1.0 110.013 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.3 m-85 -57.82 -43.72 85.94 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.29 -53.1 61.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.351 -0.54 . . . . 1.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.04 -44.87 87.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 1.0 110.354 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.33 89.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.1 tt -61.65 -44.86 96.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.924 0.393 . . . . 1.0 110.976 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.618 -0.833 . . . . 1.0 110.307 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.32 -39.93 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.021 0.439 . . . . 1.0 110.664 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.43 -42.22 98.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.81 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.39 -50.89 65.87 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.5 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.43 -48.42 62.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.8 t -58.2 -43.28 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.491 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -55.27 -49.76 71.25 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.17 -38.05 89.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.765 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -61.53 -48.05 82.81 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.437 0.636 . . . . 1.0 110.78 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.8 -39.02 92.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.566 0.698 . . . . 1.0 109.504 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -64.15 -35.41 80.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.503 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.42 79.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.861 0.839 . . . . 1.0 112.255 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.67 -34.52 70.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.071 -1.018 . . . . 1.0 111.432 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.7 mttt . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 179.708 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.217 -0.61 0 N-CA-C 109.772 -0.455 . . . . 1.0 109.772 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -57.88 -52.66 64.56 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.618 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.03 -37.5 64.18 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.337 -0.545 . . . . 1.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.23 -43.37 98.97 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.806 -0.757 . . . . 1.0 110.571 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -66.19 -47.0 86.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.992 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -59.98 -57.94 10.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.419 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.97 -48.39 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.947 0.879 . . . . 1.0 110.113 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -66.53 -39.63 88.72 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.951 -0.7 . . . . 1.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.7 m -55.63 -49.32 73.16 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.423 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.11 -29.91 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.99 -46.87 64.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.299 -0.561 . . . . 1.0 110.445 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 31.0 m-85 -61.21 -48.49 81.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.271 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -60.42 -48.75 80.42 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.006 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -50.09 -45.21 52.44 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.077 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 14.3 mmm180 -60.92 -45.12 95.94 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.601 -0.84 . . . . 1.0 109.984 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -34.05 75.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.744 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.38 -54.46 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.296 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.547 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 7.3 pttm -60.8 -35.26 76.05 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.768 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.0 mt -60.29 -46.87 88.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.377 0.608 . . . . 1.0 110.039 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.5 ttpt -70.88 -24.67 62.54 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.742 -1.117 . . . . 1.0 111.236 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -66.68 -55.62 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.564 . . . . 1.0 112.507 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 10.3 p90 -77.97 -29.35 49.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.229 -0.989 . . . . 1.0 109.875 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.6 mt . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 119.991 -0.684 . . . . 1.0 109.421 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.494 1.537 0 CA-C-O 120.707 0.211 . . . . 1.0 112.071 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -107.91 120.21 41.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -50.39 130.1 25.36 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.648 -178.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.479 ' O ' ' CZ ' ' A' ' 66' ' ' ARG . 72.0 Cg_endo . . . . . 0 N--CA 1.494 1.526 0 C-N-CA 122.063 1.842 . . . . 1.0 112.155 179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.963 0.411 . . . . 1.0 110.433 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.85 -46.49 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.437 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.198 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -54.22 -51.69 63.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.159 -0.616 . . . . 1.0 109.644 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -57.82 -40.13 79.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 119.808 -0.757 . . . . 1.0 109.21 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.61 -48.36 77.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 119.947 -0.701 . . . . 1.0 110.485 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.3 mt -65.35 -42.12 92.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.327 1.061 . . . . 1.0 109.707 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.58 -46.68 88.22 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 120.959 -1.088 . . . . 1.0 110.717 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.43 -42.56 95.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.379 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.8 p -67.5 -38.9 81.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.311 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' OG1' ' A' ' 17' ' ' THR . 8.3 m -57.37 -50.79 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.996 0.903 . . . . 1.0 109.057 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -61.43 -41.58 97.4 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.286 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -53.14 -44.16 67.54 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.282 -0.567 . . . . 1.0 111.333 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 14' ' ' THR . 32.5 p -63.75 -41.27 98.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.604 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -40.26 94.18 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.032 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.0 109.92 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.05 -40.22 84.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.575 -0.739 . . . . 1.0 109.628 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 60.5 mttt -66.01 -39.94 90.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.773 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 10.69 1.26 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.4 mmtp 66.1 30.11 9.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.926 0.766 . . . . 1.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.28 69.49 1.14 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.417 0.627 . . . . 1.0 109.963 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.0 -39.93 79.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.316 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -62.96 -52.3 63.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.244 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.9 tp10 -66.09 -43.29 87.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.208 1.004 . . . . 1.0 109.544 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.59 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.8 tp -59.47 -47.95 83.53 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 13.5 ptm180 -61.35 -42.6 98.95 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.595 -0.842 . . . . 1.0 109.778 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 75.6 mt -64.23 -38.92 92.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.265 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -59.41 -47.13 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.296 0.569 . . . . 1.0 110.578 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -40.94 98.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -64.43 -50.66 66.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.32 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.06 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.616 HG21 ' HG ' ' A' ' 64' ' ' LEU . 42.0 t -57.64 -43.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.482 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.63 -49.41 70.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.114 0.483 . . . . 1.0 110.761 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -64.26 -38.55 91.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.108 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.5 m-85 -61.69 -49.2 77.46 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.728 0.775 . . . . 1.0 110.478 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 73.9 mt -63.0 -40.23 97.16 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.487 -0.779 . . . . 1.0 109.415 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.454 -0.498 . . . . 1.0 110.993 178.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -46.77 78.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.747 0.784 . . . . 1.0 112.579 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 6.2 pt -62.68 -33.03 57.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 119.494 -0.883 . . . . 1.0 111.631 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.4 mtpt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 112.988 0.736 . . . . 1.0 112.988 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.214 -0.769 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.6 mptp? -54.07 -49.55 68.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.484 -0.487 . . . . 1.0 110.171 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -54.16 -39.57 66.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.98 -43.32 99.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.858 -0.737 . . . . 1.0 110.254 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.5 mm -68.71 -44.43 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.475 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.0 -37.49 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.2 -48.24 57.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.268 1.033 . . . . 1.0 110.518 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 20.5 mmmt -68.01 -36.94 80.79 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 119.725 -0.79 . . . . 1.0 110.38 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 7.2 m -55.48 -50.24 70.41 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.038 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.6 p -63.76 -29.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.439 -0.504 . . . . 1.0 110.642 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.41 -47.45 64.11 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.857 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.6 m-85 -62.25 -48.11 81.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.677 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.0 mt -60.15 -49.03 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.094 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -49.71 -45.44 49.06 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.062 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.0 mmm180 -61.01 -44.57 97.22 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.857 -0.737 . . . . 1.0 109.69 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.29 -36.36 79.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.377 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.54 -54.75 27.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.01 -36.38 79.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.925 -0.71 . . . . 1.0 109.963 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.56 -48.16 83.0 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.121 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.41 -25.17 63.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.845 -1.07 . . . . 1.0 110.811 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -65.55 -56.04 14.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.828 0.823 . . . . 1.0 112.873 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.0 p90 -78.26 -29.48 48.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 119.525 -0.87 . . . . 1.0 109.887 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 25' ' ' TYR . 14.7 mt . . . . . 0 C--N 1.317 -0.812 0 C-N-CA 119.543 -0.863 . . . . 1.0 109.764 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo . . . . . 0 N--CA 1.496 1.66 0 CA-C-O 120.847 0.27 . . . . 1.0 111.898 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.94 136.47 51.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.435 0.636 . . . . 1.0 110.359 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.28 135.69 96.36 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.59 -178.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo . . . . . 0 N--CA 1.493 1.457 0 C-N-CA 122.103 1.869 . . . . 1.0 112.114 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.521 -0.143 0 CA-C-O 120.913 0.387 . . . . 1.0 110.414 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.04 -41.89 93.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.959 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.25 -44.41 88.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.35 0.595 . . . . 1.0 110.867 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.71 -39.18 90.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.608 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -66.91 -44.0 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.664 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.82 -44.86 86.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.021 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.22 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.922 0.868 . . . . 1.0 109.79 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -59.8 -45.04 93.58 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 121.26 -0.9 . . . . 1.0 110.743 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.56 -42.79 91.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.644 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.5 p -67.59 -38.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 1.0 110.411 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' OG1' ' A' ' 17' ' ' THR . 72.4 m -57.77 -48.47 79.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.1 ttmt -63.32 -42.1 98.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.329 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.46 65.22 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.528 -0.469 . . . . 1.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.1 p -65.66 -40.31 92.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.95 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.1 pt-20 -63.78 -40.56 96.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.865 -0.734 . . . . 1.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.16 -38.99 89.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.812 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 47.2 t0 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.891 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 23' ' ' LYS . 53.2 mttt -65.62 -40.15 92.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.582 -0.447 . . . . 1.0 109.828 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.06 10.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.678 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 21' ' ' LYS . 70.8 mmtt 66.45 23.21 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.75 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.49 67.82 3.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.33 0.586 . . . . 1.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.88 -41.2 82.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.471 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.32 -53.17 60.79 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.339 -0.544 . . . . 1.0 111.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.54 -45.78 82.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.96 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.55 82.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.88 -46.36 88.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.12 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -59.11 -42.82 91.46 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.94 -0.704 . . . . 1.0 110.472 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 61.2 mt -67.17 -39.17 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.768 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.04 -49.49 77.44 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.085 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.11 -42.48 99.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -63.37 -50.32 70.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.05 -46.76 72.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.758 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 64' ' ' LEU . 33.8 t -57.28 -44.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.073 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -54.33 -49.22 70.24 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.466 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.74 -38.35 90.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.424 -0.511 . . . . 1.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.664 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.7 m-85 -61.35 -50.01 74.63 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.673 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.794 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 58.6 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.997 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -66.19 -30.54 71.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.137 0.494 . . . . 1.0 111.035 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.71 -48.28 60.14 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 122.091 -0.381 . . . . 1.0 111.774 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.3 pt -59.53 -31.37 46.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 120.353 -0.539 . . . . 1.0 112.2 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.794 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 9.2 mtpt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 112.885 0.698 . . . . 1.0 112.885 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.475 0 N-CA-C 109.653 -0.499 . . . . 1.0 109.653 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -50.75 -50.3 56.03 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.546 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.38 -39.71 67.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.496 -0.482 . . . . 1.0 109.814 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -60.87 -43.47 98.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.842 -0.743 . . . . 1.0 110.524 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 21.3 mm -66.42 -44.76 90.48 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.234 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.72 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.914 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.715 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.52 -49.8 61.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.978 0.894 . . . . 1.0 110.193 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.1 mmmt -64.5 -40.31 95.41 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.319 -0.863 . . . . 1.0 111.182 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 22.5 m -54.01 -43.94 70.5 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.162 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.336 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -69.53 -47.96 62.01 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.228 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.93 -48.67 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.41 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.5 mt -59.24 -48.82 80.19 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.739 -0.784 . . . . 1.0 110.118 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.8 -45.18 49.65 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.781 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 33.9 mmm-85 -61.46 -44.46 97.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.948 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.485 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.71 -55.06 22.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.303 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.77 -37.17 83.32 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.454 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 74' ' ' LEU . 19.3 mt -60.82 -49.16 78.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.185 0.517 . . . . 1.0 110.554 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -70.81 -22.39 62.35 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.793 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.84 -57.02 6.97 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.568 0.699 . . . . 1.0 112.694 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.2 p90 -76.1 -30.01 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.497 -0.881 . . . . 1.0 110.103 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.512 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . 0.432 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 41.7 Cg_endo . . . . . 0 N--CA 1.496 1.656 0 N-CA-C 111.523 -0.222 . . . . 1.0 111.523 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -134.86 139.89 45.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.325 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -68.81 131.21 91.22 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.696 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 17' ' ' THR . 70.8 Cg_endo . . . . . 0 N--CA 1.494 1.504 0 C-N-CA 122.074 1.85 . . . . 1.0 111.793 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 CA--C 1.522 -0.133 0 CA-C-O 120.816 0.341 . . . . 1.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.25 -44.04 95.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.33 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.42 -44.6 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.372 0.606 . . . . 1.0 110.618 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.15 -46.4 88.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.704 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -42.94 97.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.482 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.37 -45.44 76.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.336 0.588 . . . . 1.0 109.799 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.2 mt -63.95 -41.08 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.864 0.84 . . . . 1.0 109.8 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.95 -47.4 85.95 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.711 -0.796 . . . . 1.0 111.091 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.16 -43.89 97.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.328 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.9 p -68.26 -37.59 78.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.334 -0.546 . . . . 1.0 110.553 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 m -57.33 -51.01 71.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.494 0.664 . . . . 1.0 109.423 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -62.48 -40.87 98.08 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.54 -0.864 . . . . 1.0 109.449 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -43.39 63.06 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.437 HG22 ' HD3' ' B' ' 174' ' ' PRO . 47.3 p -66.11 -39.45 89.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.425 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -40.84 96.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.901 -0.719 . . . . 1.0 110.126 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -64.76 -39.72 94.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.122 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -59.67 -40.46 87.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.682 179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' LYS . 55.1 mttt -65.64 -39.66 91.69 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.782 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 10.02 1.28 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.582 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.0 mmtp 65.95 32.35 8.57 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.979 0.799 . . . . 1.0 110.457 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -104.09 69.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 1.0 109.865 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.6 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -57.39 -43.81 83.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.312 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.64 -53.22 60.78 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.497 -0.481 . . . . 1.0 111.698 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.0 -45.63 77.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.972 0.415 . . . . 1.0 110.133 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.18 82.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' LYS . 2.9 tt -61.08 -46.84 89.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 1.0 111.83 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.737 ' NH1' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.96 -40.84 94.87 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 119.778 -0.769 . . . . 1.0 109.828 -179.451 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.737 HD21 ' NH1' ' A' ' 30' ' ' ARG . 81.6 mt -65.4 -40.21 93.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.858 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.64 -46.48 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.923 0.392 . . . . 1.0 110.563 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' NE2' ' CD2' ' A' ' 29' ' ' LEU . 87.3 mt-30 -63.69 -42.39 98.02 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.06 -51.77 62.5 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.353 0.597 . . . . 1.0 110.747 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.84 75.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.779 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.428 HG21 ' HG ' ' A' ' 64' ' ' LEU . 29.4 t -58.45 -43.55 86.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -54.0 -49.53 68.65 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -62.4 -38.97 91.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.884 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.4 m-85 -60.75 -49.24 78.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.598 0.714 . . . . 1.0 110.684 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 66.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.231 -0.587 . . . . 1.0 110.736 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.15 72.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.697 0.761 . . . . 1.0 112.597 -178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.438 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.4 pt -62.56 -34.43 64.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 C-N-CA 119.493 -0.883 . . . . 1.0 111.398 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 12.2 mtmt . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 109.721 -0.474 . . . . 1.0 109.721 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -47.81 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.633 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -60.42 -33.69 72.88 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.409 -0.516 . . . . 1.0 110.06 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.526 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.7 mm -68.1 -45.93 82.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-O 121.249 0.547 . . . . 1.0 110.523 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.25 -57.96 10.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.128 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.47 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 1.0 110.561 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.521 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.2 mmmm -62.27 -42.89 99.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.948 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -52.67 -39.85 62.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -64.8 -47.72 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.856 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -56.15 -46.6 79.21 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.957 0.408 . . . . 1.0 110.448 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.521 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 26.4 m-85 -63.19 -50.5 70.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -60.59 -47.74 84.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.712 -0.795 . . . . 1.0 110.431 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -52.34 -45.04 65.52 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.072 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' B' ' 173' ' ' VAL . 17.5 mmm180 -60.34 -44.41 95.54 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.785 -0.766 . . . . 1.0 109.43 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.63 80.53 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.9 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -54.68 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.318 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -61.44 -34.78 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.918 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 mt -59.68 -47.56 85.13 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.143 0.497 . . . . 1.0 109.996 -179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' LEU . 25.5 ttpt -69.42 -25.67 64.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.176 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.4 -55.61 14.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.656 0.613 . . . . 1.0 112.656 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.6 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -77.78 -30.45 51.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.157 -1.017 . . . . 1.0 109.867 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.7 mt . . . . . 0 C--O 1.223 -0.335 0 C-N-CA 119.83 -0.748 . . . . 1.0 109.821 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo . . . . . 0 N--CA 1.497 1.717 0 CA-C-O 120.807 0.253 . . . . 1.0 111.719 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -122.85 137.94 54.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.063 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.403 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -67.99 137.51 92.23 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.745 -179.191 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 17' ' ' THR . 60.0 Cg_endo . . . . . 0 N--CA 1.494 1.518 0 C-N-CA 121.8 1.667 . . . . 1.0 112.02 179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.233 0.192 0 CA-C-O 121.079 0.466 . . . . 1.0 110.411 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -61.12 -41.93 97.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.003 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.68 -44.32 86.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.626 0.727 . . . . 1.0 111.032 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.694 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 38' ' ' TYR . 45.6 tttm -64.08 -42.19 97.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.509 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.26 82.2 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.041 0.448 . . . . 1.0 110.035 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.45 -42.18 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.326 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.73 -44.46 96.86 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.205 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -63.7 -44.72 92.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.762 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 63' ' ' TYR . 8.3 p -69.97 -35.52 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.171 -0.612 . . . . 1.0 110.794 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 15.5 m -56.95 -50.62 72.05 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.982 0.896 . . . . 1.0 109.38 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -63.56 -40.26 96.53 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.539 -0.864 . . . . 1.0 109.283 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.6 -42.47 64.59 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.178 -0.609 . . . . 1.0 111.035 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.8 p -65.72 -37.21 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.272 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -39.33 93.31 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.766 -0.773 . . . . 1.0 109.595 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 71.4 mm-40 -69.3 -42.44 75.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.427 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -56.36 -44.71 80.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.696 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' LYS . 37.9 mtmt -67.34 -36.42 81.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.393 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 10.75 1.05 Allowed 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.325 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.7 mmtt 67.96 20.76 9.1 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.36 1.038 . . . . 1.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 2.1 m-20 -95.11 68.56 3.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.0 110.149 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.6 m-85 -56.88 -43.04 80.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.425 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.3 -53.06 61.6 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.136 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.1 tp10 -65.07 -45.78 83.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.224 1.011 . . . . 1.0 109.579 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.9 94.37 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 121.615 -0.678 . . . . 1.0 110.431 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.75 -50.14 75.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.569 0.581 . . . . 1.0 112.569 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 11.3 ptm180 -59.58 -40.62 87.98 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.646 -0.821 . . . . 1.0 109.883 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 87.6 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.28 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -60.02 -48.56 81.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.169 0.509 . . . . 1.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.37 -44.28 96.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.673 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -61.07 -49.57 76.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 1.0 110.558 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.3 73.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.8 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.3 t -56.97 -44.83 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.272 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -54.88 -48.83 72.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 1.0 110.412 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 44.2 m-85 -63.15 -39.32 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.524 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 19.8 m-85 -61.41 -49.8 75.42 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.217 0.532 . . . . 1.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.711 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 81.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.679 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -64.97 -25.36 67.84 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.167 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.32 -48.69 26.66 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 112.095 0.406 . . . . 1.0 112.095 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.428 ' H ' HG12 ' A' ' 43' ' ' ILE . 6.6 pt -60.66 -32.38 51.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 24.0 mttm . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 113.657 0.984 . . . . 1.0 113.657 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.551 0 N-CA-C 109.713 -0.477 . . . . 1.0 109.713 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -52.37 28.71 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.018 -0.673 . . . . 1.0 110.554 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.7 -39.02 64.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -61.07 -43.89 98.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.794 -0.763 . . . . 1.0 110.283 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.499 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.7 mm -66.58 -45.1 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.027 0.442 . . . . 1.0 110.589 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -62.3 -37.79 86.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.906 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.06 -49.74 59.48 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 122.218 1.009 . . . . 1.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' B' ' 172' ' ' GLU . 23.6 mmmt -67.29 -36.32 81.29 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.483 -0.761 . . . . 1.0 110.451 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 19.4 m -55.43 -50.51 69.63 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.009 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.28 -29.73 48.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.693 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -69.14 -47.1 65.96 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.541 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.0 m-85 -61.98 -48.55 79.82 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -59.69 -50.17 74.88 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 119.495 -0.882 . . . . 1.0 109.957 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.8 -46.81 42.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.762 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 21.7 mmm180 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.677 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.9 73.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.469 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.43 -54.96 15.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.453 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.16 -36.94 81.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.138 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 74' ' ' LEU . 43.8 mt -60.44 -49.65 76.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.522 0.677 . . . . 1.0 110.744 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -70.85 -21.95 62.37 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.159 -1.382 . . . . 1.0 111.156 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -69.12 -57.17 5.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 112.664 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.593 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.4 p90 -75.71 -29.29 58.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.811 -0.756 . . . . 1.0 109.81 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt . . . . . 0 N--CA 1.453 -0.276 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.599 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo . . . . . 0 N--CA 1.496 1.637 0 N-CA-C 111.222 -0.338 . . . . 1.0 111.222 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 59' ' ' LYS . 47.4 tp10 -121.26 124.18 44.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.069 0.462 . . . . 1.0 109.982 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -53.89 135.73 56.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.622 -179.066 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.476 ' HD3' HG22 ' A' ' 17' ' ' THR . 61.1 Cg_endo . . . . . 0 N--CA 1.493 1.487 0 C-N-CA 121.929 1.752 . . . . 1.0 111.955 179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.81 0.338 . . . . 1.0 110.221 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -61.09 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.08 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.99 -45.33 82.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.209 0.528 . . . . 1.0 110.802 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -59.52 -43.8 93.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.542 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.27 -42.8 92.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.347 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.56 -44.04 80.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.84 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.73 -41.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.929 0.871 . . . . 1.0 109.651 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -59.99 -46.29 89.96 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.338 -0.851 . . . . 1.0 110.547 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.14 -43.14 96.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.52 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.7 p -66.9 -38.58 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.56 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.5 m -58.32 -48.7 79.7 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.534 0.683 . . . . 1.0 109.382 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -62.69 -42.14 99.48 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.337 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.7 -43.2 65.46 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.103 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 48.5 p -65.85 -39.63 90.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.84 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.13 -41.37 97.23 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.774 -0.77 . . . . 1.0 110.164 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -65.04 -38.85 92.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.395 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -59.62 -39.42 84.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 23' ' ' LYS . 49.2 mttm -65.38 -41.33 93.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.833 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.46 10.55 1.0 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.6 mmtp 66.6 27.21 9.62 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.362 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.97 67.21 1.92 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.902 0.382 . . . . 1.0 110.224 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.19 -40.09 76.69 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.148 -0.221 . . . . 1.0 110.468 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.48 -52.54 64.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.719 0.295 . . . . 1.0 111.064 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.76 -46.28 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.889 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.63 80.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.27 -46.02 89.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 120.704 0.288 . . . . 1.0 111.049 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.38 -43.42 92.9 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.513 -0.875 . . . . 1.0 110.265 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.9 mt -66.6 -39.67 88.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.958 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -59.9 -49.11 78.98 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.866 0.365 . . . . 1.0 110.863 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.685 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -63.33 -50.75 68.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.596 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.07 73.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.4 t -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.924 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -53.98 -49.32 69.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.49 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.88 -37.97 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.006 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.6 m-85 -60.61 -49.21 78.44 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.586 -0.445 . . . . 1.0 110.39 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 1.0 109.908 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -67.55 -26.73 66.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.305 0.574 . . . . 1.0 110.458 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.69 -47.33 48.15 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.859 -0.526 . . . . 1.0 111.375 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.4 pt -67.25 -32.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.1 mttt . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.375 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.219 -0.516 0 N-CA-C 109.753 -0.462 . . . . 1.0 109.753 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -50.97 47.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.133 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -53.37 -41.36 65.77 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.106 -0.638 . . . . 1.0 109.737 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -62.39 -43.51 98.66 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.861 -0.736 . . . . 1.0 110.748 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.0 mm -67.55 -45.67 84.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.701 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.58 -58.07 9.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.863 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.8 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.169 0.509 . . . . 1.0 110.207 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.636 ' HZ1' ' CD ' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.166 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -51.8 -37.03 50.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.09 -46.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.627 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.636 ' CD ' ' HZ1' ' A' ' 59' ' ' LYS . 67.2 mt-30 -54.13 -50.07 67.75 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.095 0.474 . . . . 1.0 110.58 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 13' ' ' VAL . 24.5 m-85 -63.05 -48.65 77.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -60.14 -47.59 85.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.556 -0.858 . . . . 1.0 110.408 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.86 -44.66 63.76 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.039 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 21.0 mmm180 -61.88 -43.56 98.6 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.765 -0.774 . . . . 1.0 109.365 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.57 81.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.384 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.66 -54.9 28.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.618 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.94 -36.52 81.64 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.197 -0.601 . . . . 1.0 110.279 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 22.1 mt -61.16 -48.87 79.6 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.189 0.518 . . . . 1.0 110.164 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -70.99 -23.86 62.28 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.428 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -66.54 -56.03 12.73 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 112.947 0.721 . . . . 1.0 112.947 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.605 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.9 p90 -77.79 -28.73 50.5 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 119.407 -0.917 . . . . 1.0 109.98 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' A' ' 25' ' ' TYR . 17.2 mt . . . . . 0 C--N 1.33 -0.243 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.78 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.498 1.777 0 CA-C-O 120.942 0.309 . . . . 1.0 112.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -105.82 127.3 53.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.079 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -56.88 141.64 74.66 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.626 -179.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo . . . . . 0 N--CA 1.495 1.567 0 C-N-CA 122.353 2.035 . . . . 1.0 111.843 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.005 0.431 . . . . 1.0 110.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.06 -44.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.448 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -42.17 86.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.406 . . . . 1.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -56.61 -45.88 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.699 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.36 -39.52 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.625 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.48 -48.07 80.19 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.564 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.0 mt -62.64 -41.12 90.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 121.76 0.79 . . . . 1.0 109.537 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -60.57 -43.12 97.65 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.632 -0.668 . . . . 1.0 110.53 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.675 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.76 -38.58 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.982 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.9 m -57.25 -49.87 74.69 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.6 ttpt -65.01 -41.02 95.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.24 65.08 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 14' ' ' THR . 26.2 p -65.43 -38.6 90.36 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.927 0.394 . . . . 1.0 110.92 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.07 -39.18 89.86 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.142 -0.623 . . . . 1.0 110.568 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.87 -40.33 87.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.45 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.413 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 15.9 t70 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.861 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 23' ' ' LYS . 52.9 mttt -65.1 -39.26 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.43 11.31 1.02 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.795 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.4 mmtt 66.93 26.93 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.59 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.528 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -97.61 67.26 2.03 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.426 0.632 . . . . 1.0 110.247 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.591 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -56.54 -43.94 80.36 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 122.072 -0.392 . . . . 1.0 110.59 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -59.95 -54.08 50.28 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.608 -0.437 . . . . 1.0 111.281 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 38.0 tt0 -65.32 -46.62 79.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.636 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.8 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.1 tp -58.29 -47.51 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.27 0.357 . . . . 1.0 110.977 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.03 -42.96 86.43 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.627 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 66.0 mt -67.67 -39.07 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.611 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.73 -49.93 75.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.85 -42.94 99.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.696 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -62.21 -49.03 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.612 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.55 -45.72 77.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.786 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.0 t -58.01 -44.77 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.372 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.95 -47.08 78.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.467 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.81 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.1 m-85 -61.67 -50.51 72.21 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.622 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 60.3 mt -62.36 -41.23 98.44 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.795 -0.638 . . . . 1.0 109.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -66.53 -28.65 68.71 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 121.122 0.487 . . . . 1.0 111.215 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.69 -47.39 60.1 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.134 0.42 . . . . 1.0 112.134 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.7 pt -62.01 -30.65 49.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.6 mtpt . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 55' ' ' SER . . . . . . . . 0 C--O 1.216 -0.694 0 N-CA-C 109.656 -0.498 . . . . 1.0 109.656 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HZ3' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.61 -49.99 55.16 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.146 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -54.33 -39.13 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.298 0.374 . . . . 1.0 110.032 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 52' ' ' ALA . 10.6 t -61.37 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.449 -0.501 . . . . 1.0 109.983 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 11.5 mm -67.85 -44.4 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.023 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -63.74 -38.22 90.29 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.002 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -69.07 -49.49 56.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.899 0.857 . . . . 1.0 110.718 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.3 mmmt -67.43 -36.7 81.76 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.77 -0.581 . . . . 1.0 110.7 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.8 m -55.35 -50.33 69.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.026 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.18 -29.59 47.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.793 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -69.72 -47.4 63.24 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.477 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.9 m-85 -60.88 -48.4 82.0 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.586 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.6 mt -59.33 -50.72 72.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.085 -0.646 . . . . 1.0 109.967 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.845 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 32.7 t0 -46.42 -43.17 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' B' ' 174' ' ' PRO . 12.3 mmm180 -66.13 -45.8 79.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.411 0.624 . . . . 1.0 110.993 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.06 -41.47 92.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.724 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.845 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -62.31 -48.52 79.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.94 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.8 ptmm? -65.22 -36.52 84.42 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.082 0.468 . . . . 1.0 109.87 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.7 mt -61.96 -47.12 86.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -71.83 -22.04 61.6 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.238 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.03 -58.29 4.75 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.858 0.688 . . . . 1.0 112.858 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.591 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.0 p90 -75.48 -29.52 59.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.6 mt . . . . . 0 C--O 1.232 0.164 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.489 1.235 0 N-CA-C 111.003 -0.422 . . . . 1.0 111.003 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -117.17 142.63 46.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.139 0.495 . . . . 1.0 110.581 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.64 133.38 62.9 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.505 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 58.7 Cg_endo . . . . . 0 C--N 1.311 -1.44 0 C-N-CA 122.453 2.102 . . . . 1.0 111.965 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.854 0.359 . . . . 1.0 110.152 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -61.01 -45.91 92.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.25 -45.16 77.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.108 0.48 . . . . 1.0 110.661 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -57.9 -45.14 86.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.405 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.51 95.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.36 82.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.846 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.59 -41.98 93.82 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-O 122.076 0.941 . . . . 1.0 109.725 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.36 -47.71 84.4 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.838 . . . . 1.0 110.743 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.3 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.489 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.6 p -67.66 -39.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 17' ' ' THR . 6.8 m -57.02 -51.46 69.16 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 121.331 0.586 . . . . 1.0 109.438 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -62.49 -41.0 98.49 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.749 -0.78 . . . . 1.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.95 63.06 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.943 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HD3' ' B' ' 174' ' ' PRO . 62.2 p -66.82 -38.59 86.74 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.601 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.067 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -65.8 -40.57 92.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.07 -40.85 86.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 23' ' ' LYS . 24.0 mttt -65.95 -39.63 90.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.981 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 8.29 1.81 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.689 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 21' ' ' LYS . 69.8 mmtt 68.86 26.11 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -97.83 69.67 2.12 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.347 0.594 . . . . 1.0 109.933 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CD2' ' OH ' ' A' ' 73' ' ' TYR . 3.0 m-85 -57.35 -43.13 83.22 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.87 -52.71 63.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 1.0 111.428 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.76 -45.8 81.18 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.451 -0.499 . . . . 1.0 110.16 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.53 81.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -60.39 -44.98 95.13 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.802 0.334 . . . . 1.0 111.374 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -60.04 -43.39 95.36 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.988 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.73 -39.37 87.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.042 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -59.87 -48.52 81.36 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.724 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.31 -41.39 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.934 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -64.51 -51.17 64.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.28 -46.3 72.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 64' ' ' LEU . 45.4 t -58.5 -43.79 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.147 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.85 -49.84 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.574 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.27 -37.35 86.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.925 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.6 m-85 -60.29 -49.15 78.73 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.619 -0.433 . . . . 1.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.11 -38.96 93.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.999 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 60.0 t-80 -67.76 -29.1 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.484 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.27 -47.0 59.64 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 121.949 -0.469 . . . . 1.0 111.552 -179.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.82 -32.67 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.284 -0.566 . . . . 1.0 112.514 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 CA--C 1.504 -0.792 0 N-CA-C 113.065 0.765 . . . . 1.0 113.065 -179.167 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 109.673 -0.491 . . . . 1.0 109.673 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -53.07 27.9 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.654 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -54.21 -39.92 67.16 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.52 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -61.2 -43.81 98.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.14 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -67.85 -44.29 85.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-O 120.988 0.423 . . . . 1.0 110.546 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.7 -58.34 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.326 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.56 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.215 0.531 . . . . 1.0 110.518 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.554 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.4 mmmm -63.22 -42.77 99.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 m -52.38 -38.92 60.06 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.41 -48.02 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.421 -0.512 . . . . 1.0 109.807 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -55.63 -47.45 76.58 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.58 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.554 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 27.3 m-85 -62.11 -50.31 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -59.96 -47.48 85.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.792 -0.763 . . . . 1.0 110.128 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -51.31 -45.27 62.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.276 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -61.35 -44.39 97.25 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.753 -0.779 . . . . 1.0 109.427 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.88 -36.21 80.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.276 -0.57 . . . . 1.0 110.684 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.29 -54.47 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -61.39 -35.48 77.64 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.887 -0.725 . . . . 1.0 109.851 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 74' ' ' LEU . 23.8 mt -60.51 -46.43 90.17 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.181 0.515 . . . . 1.0 109.892 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' LEU . 32.1 ttmt -71.04 -24.82 62.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.055 -0.975 . . . . 1.0 110.878 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.55 -56.4 12.5 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.71 0.634 . . . . 1.0 112.71 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' OH ' ' CD2' ' A' ' 25' ' ' TYR . 13.7 p90 -77.62 -31.18 52.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 119.331 -0.947 . . . . 1.0 110.565 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 70' ' ' LEU . 19.3 mt . . . . . 0 N--CA 1.468 0.444 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.1 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.499 1.85 0 CA-C-O 120.911 0.296 . . . . 1.0 111.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -111.39 133.11 53.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.764 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.31 141.25 96.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.911 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.431 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.8 Cg_endo . . . . . 0 N--CA 1.493 1.469 0 C-N-CA 121.972 1.781 . . . . 1.0 111.59 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 120.943 0.401 . . . . 1.0 109.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -60.5 -46.77 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.33 -41.91 84.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.361 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.247 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.71 -42.19 92.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.066 -0.653 . . . . 1.0 110.081 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.5 mt -65.0 -41.59 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.906 0.86 . . . . 1.0 110.121 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.39 -44.35 97.3 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.426 -0.796 . . . . 1.0 110.547 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 38' ' ' TYR . 49.8 mt -64.75 -43.42 93.39 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.627 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.3 p -68.24 -36.86 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 17' ' ' THR . 95.4 m -58.92 -47.9 83.39 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.409 0.623 . . . . 1.0 109.495 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -64.1 -42.38 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.184 -0.606 . . . . 1.0 109.59 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.23 -42.69 63.81 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.953 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.3 p -66.92 -37.24 83.98 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.588 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.87 -41.05 92.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.904 -0.719 . . . . 1.0 110.057 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -40.25 87.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.005 0.431 . . . . 1.0 110.713 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.45 -41.63 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.68 -39.37 91.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.122 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 10.89 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' LYS . 27.3 mmtp 67.14 22.09 9.91 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.036 0.835 . . . . 1.0 110.562 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.89 66.87 3.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.19 0.519 . . . . 1.0 110.245 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.7 m-85 -56.73 -40.91 76.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.508 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -60.62 -52.57 64.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.31 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -66.38 -46.67 75.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.77 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.67 -47.14 85.5 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.717 0.294 . . . . 1.0 110.833 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.616 -0.834 . . . . 1.0 110.289 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 58.5 mt -66.05 -40.02 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -59.61 -49.84 76.2 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.871 0.367 . . . . 1.0 110.907 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.92 -43.57 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.626 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -62.46 -51.55 67.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.632 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.06 68.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.694 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.7 t -58.25 -43.96 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.458 -0.497 . . . . 1.0 110.012 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -53.68 -49.63 67.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.606 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 57.1 m-85 -62.98 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.941 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -60.92 -50.69 72.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.55 . . . . 1.0 110.176 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.786 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 69.6 mt -62.72 -42.8 99.84 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.097 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -64.63 -28.52 69.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.146 0.498 . . . . 1.0 111.264 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.33 -47.84 59.21 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 8.0 pt -62.79 -31.93 54.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 112.183 0.438 . . . . 1.0 112.183 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.786 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.0 mtpt . . . . . 0 N--CA 1.482 1.137 0 N-CA-C 112.9 0.704 . . . . 1.0 112.9 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 110.09 -0.337 . . . . 1.0 110.09 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.9 mptp? -48.38 -56.37 8.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.516 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 55' ' ' SER . 7.8 pt-20 -52.47 -41.55 63.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.152 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 34.9 t -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.032 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.4 mm -66.83 -44.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.447 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.13 -58.41 8.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.54 -51.54 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.101 0.477 . . . . 1.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -62.24 -41.98 98.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.45 -40.27 62.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.41 -48.4 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.101 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -54.22 -47.43 72.17 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.365 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.6 m-85 -62.66 -49.23 75.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.367 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.9 mt -59.9 -48.75 80.42 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.568 -0.853 . . . . 1.0 110.255 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -50.34 -44.76 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 1.0 110.101 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.8 mmm180 -61.84 -44.32 97.07 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.932 -0.707 . . . . 1.0 109.375 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.76 75.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.78 -54.92 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.32 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.082 -0.647 . . . . 1.0 110.382 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 74' ' ' LEU . 27.6 mt -61.1 -49.08 78.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.19 0.519 . . . . 1.0 110.007 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -71.26 -22.22 62.0 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.189 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -68.14 -57.09 6.62 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.581 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.6 p90 -77.25 -29.01 53.81 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.693 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 25' ' ' TYR . 21.0 mt . . . . . 0 C--N 1.331 -0.221 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.656 178.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo . . . . . 0 N--CA 1.497 1.706 0 CA-C-O 120.799 0.249 . . . . 1.0 111.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -107.57 134.86 49.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.094 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.42 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -58.77 139.41 86.43 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.817 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.472 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.3 Cg_endo . . . . . 0 N--CA 1.495 1.614 0 C-N-CA 121.816 1.677 . . . . 1.0 112.114 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.822 0.344 . . . . 1.0 110.391 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 m -62.12 -45.7 92.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.498 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.66 -42.18 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.716 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -57.72 -42.27 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.593 . . . . 1.0 109.598 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -64.41 -41.12 96.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.26 -41.62 89.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.026 0.441 . . . . 1.0 110.431 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.1 mt -66.35 -43.53 91.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 121.881 0.848 . . . . 1.0 109.724 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -58.18 -48.36 80.55 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.639 -0.663 . . . . 1.0 110.216 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.65 -43.02 97.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.619 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -65.75 -40.47 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.757 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.53 ' O ' ' OG1' ' A' ' 17' ' ' THR . 55.5 m -57.49 -50.61 72.5 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 tppt? -59.99 -41.5 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.4 -45.07 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.784 0.326 . . . . 1.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.5 p -63.24 -41.94 99.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.131 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.3 pt-20 -62.96 -39.45 94.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.542 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 72.0 mm-40 -66.61 -39.56 88.4 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 27.7 t0 -60.06 -38.02 81.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.836 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -66.42 -40.15 89.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.901 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 8.73 2.68 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.534 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp 68.13 29.45 6.21 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.553 0.533 . . . . 1.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -99.92 69.61 1.56 Allowed 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.4 0.619 . . . . 1.0 110.009 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.31 -40.6 78.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.765 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.35 -54.11 48.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.798 0.332 . . . . 1.0 110.953 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.03 -45.42 85.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.84 89.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.294 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.958 -0.297 . . . . 1.0 111.148 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -60.95 -41.85 97.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.666 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 35.0 mt -68.35 -39.25 81.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.534 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -59.52 -49.2 78.71 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.892 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.03 -40.34 97.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -65.36 -50.2 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.533 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.2 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.459 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.514 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.4 t -57.49 -43.07 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.639 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -54.8 -50.11 69.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.857 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -64.09 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.9 m-85 -60.52 -49.44 77.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.94 -36.07 82.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.293 0.568 . . . . 1.0 110.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -70.95 -26.55 63.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.644 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.81 55.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.327 0.584 . . . . 1.0 111.236 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 pt -68.29 -32.24 54.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.328 -0.34 0 N-CA-C 112.657 0.614 . . . . 1.0 112.657 -179.317 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.221 -0.444 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -48.02 78.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.474 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -57.0 -36.11 70.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.272 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -64.52 -42.59 95.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.028 0.442 . . . . 1.0 110.262 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.3 mm -68.26 -46.38 81.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.291 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -60.32 -58.87 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.212 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.79 61.07 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.081 0.467 . . . . 1.0 110.586 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -62.38 -42.64 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 m -52.86 -40.42 63.41 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.98 -47.81 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -55.99 -46.87 78.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -62.84 -50.71 69.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.135 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.5 mt -59.54 -48.7 80.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.773 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.21 -46.52 62.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.613 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 12.3 mmm180 -59.72 -45.23 92.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.079 0.466 . . . . 1.0 110.168 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.75 90.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.281 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.84 -55.03 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.073 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.613 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 5.5 pttm -61.67 -37.27 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.515 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.1 mt -59.15 -49.26 78.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -72.64 -23.16 60.87 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.335 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.72 -56.8 10.14 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.2 p90 -78.21 -28.43 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.686 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.5 mt . . . . . 0 C--N 1.332 -0.173 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo . . . . . 0 N--CA 1.493 1.498 0 CA-C-O 120.87 0.279 . . . . 1.0 112.09 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.29 129.13 53.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.388 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.29 136.35 30.63 Favored Pre-proline 0 N--CA 1.451 -0.403 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.912 -179.262 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.415 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.1 Cg_endo . . . . . 0 C--N 1.31 -1.471 0 C-N-CA 122.269 1.979 . . . . 1.0 112.713 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.935 0.397 . . . . 1.0 110.39 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 1.0 109.984 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.52 -43.93 88.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.192 0.52 . . . . 1.0 110.79 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -61.02 -45.14 95.99 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.572 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.414 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.73 -43.95 81.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.843 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.85 -41.85 94.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.295 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -61.51 -46.07 91.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.329 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.94 -44.92 94.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.431 -0.349 . . . . 1.0 111.423 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.92 -34.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 17' ' ' THR . 51.6 m -58.16 -49.95 75.2 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.616 0.722 . . . . 1.0 109.198 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -40.62 98.18 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.722 -0.791 . . . . 1.0 109.395 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.1 65.62 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.461 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.9 p -66.11 -37.46 85.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.519 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -41.18 93.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.655 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.0 -41.28 91.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.649 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.6 -41.49 85.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.64 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.6 mttt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.232 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 13.63 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.619 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' LYS . 71.6 mmtt 64.62 30.27 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.333 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -104.05 69.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.288 0.566 . . . . 1.0 109.63 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.2 m-85 -56.83 -45.17 82.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.554 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.7 -53.68 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.572 -0.451 . . . . 1.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 40.0 tt0 -63.21 -45.26 92.52 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.241 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.27 81.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -59.91 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.692 0.282 . . . . 1.0 110.973 -179.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -59.08 -44.33 91.88 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.552 -0.859 . . . . 1.0 109.848 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.1 -40.82 95.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.61 -48.32 82.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.909 0.385 . . . . 1.0 111.118 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -63.34 -44.14 95.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.892 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -60.81 -49.38 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.584 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.18 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.0 t -57.6 -44.45 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.095 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -54.77 -49.33 71.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.319 -0.553 . . . . 1.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.91 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.959 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.6 m-85 -61.24 -49.92 75.15 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.275 0.559 . . . . 1.0 110.939 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 77.1 mt -63.51 -41.11 98.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -62.6 -37.17 85.22 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.376 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.2 -46.43 80.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.415 HG22 ' NZ ' ' A' ' 53' ' ' LYS . 15.8 pt -63.91 -34.75 70.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 C-N-CA 119.52 -0.872 . . . . 1.0 111.372 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 55.7 mttm . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.448 -0.538 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HE2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -48.72 -53.39 19.08 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 120.437 -0.505 . . . . 1.0 109.905 -178.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -41.98 63.53 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.646 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.1 t -62.4 -43.73 98.12 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.582 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.86 -44.59 85.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.612 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.76 -40.34 94.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.791 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -67.35 -49.92 62.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.842 0.829 . . . . 1.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -66.7 -36.23 82.0 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.11 -0.636 . . . . 1.0 110.396 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.9 m -55.9 -50.86 69.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.237 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.06 -29.74 48.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.689 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -69.73 -45.69 67.61 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.294 -0.562 . . . . 1.0 110.849 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -62.22 -48.72 78.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.549 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.2 mt -60.75 -49.5 77.24 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.913 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -50.26 -44.98 53.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.171 -0.611 . . . . 1.0 110.063 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.66 -45.22 94.98 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 119.884 -0.727 . . . . 1.0 109.915 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -62.17 -31.68 72.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.962 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.56 -54.83 14.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.676 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.97 -35.64 77.32 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.836 -0.746 . . . . 1.0 109.866 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 25' ' ' TYR . 21.4 mt -59.97 -47.48 85.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.098 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.4 ttpt -71.13 -22.86 62.01 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.058 -0.974 . . . . 1.0 111.449 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.27 -56.65 7.9 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 112.823 0.675 . . . . 1.0 112.823 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.599 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 8.0 p90 -76.37 -30.29 57.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.56 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.0 mt . . . . . 0 C--N 1.329 -0.291 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo . . . . . 0 N--CA 1.498 1.752 0 CA-C-O 120.867 0.278 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -107.32 125.01 50.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.96 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -54.07 136.83 57.69 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.024 -179.147 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.461 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.5 Cg_endo . . . . . 0 N--CA 1.495 1.608 0 C-N-CA 122.178 1.919 . . . . 1.0 111.6 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -61.22 -48.17 82.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 1.0 110.368 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.64 -41.93 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.799 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -57.03 -44.94 83.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.7 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -63.5 -39.18 93.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.47 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.28 -43.02 92.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.259 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 13' ' ' VAL . 89.5 mt -65.96 -41.19 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.973 0.892 . . . . 1.0 109.982 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.81 -45.88 92.71 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.278 -0.889 . . . . 1.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.63 -43.11 94.77 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.24 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -66.78 -39.56 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.845 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -58.52 -47.95 82.47 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.565 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' HD23 ' A' ' 31' ' ' LEU . 20.1 ttpt -63.13 -38.25 90.43 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 119.321 -0.951 . . . . 1.0 109.079 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HD3' ' B' ' 174' ' ' PRO . 82.0 p -63.79 -38.86 92.66 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.176 -0.61 . . . . 1.0 110.795 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -39.75 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.456 -0.898 . . . . 1.0 110.17 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 1.0 110.671 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.11 -42.34 76.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 23' ' ' LYS . 20.9 mttt -65.25 -39.87 93.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.681 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.12 11.73 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.793 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 21' ' ' LYS . 42.6 mmtm 65.07 26.93 12.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.205 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.22 66.96 1.83 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.19 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.9 m-85 -55.91 -40.91 73.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.583 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HB3' HH12 ' A' ' 30' ' ' ARG . 64.7 mt-10 -61.51 -53.23 59.06 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.549 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.35 -46.9 78.37 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.24 -0.584 . . . . 1.0 109.864 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.82 -44.72 78.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.202 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 tp -58.32 -46.51 86.04 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 26' ' ' GLU . 83.0 mtt85 -57.17 -47.74 80.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.573 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mp -62.97 -39.52 94.95 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.618 0.246 . . . . 1.0 111.503 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -60.31 -50.17 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.802 -0.759 . . . . 1.0 110.682 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.86 -42.99 99.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.569 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -63.31 -50.69 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -50.16 57.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.59 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.5 t -57.43 -44.15 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.426 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.972 0.415 . . . . 1.0 110.691 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.09 -38.42 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.9 m-85 -61.11 -47.61 85.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.04 0.448 . . . . 1.0 110.267 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.428 0.632 . . . . 1.0 109.658 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -69.42 -22.8 63.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.097 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.88 -47.46 29.94 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.334 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 13.3 pt -66.1 -31.84 55.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 120.136 -0.626 . . . . 1.0 111.705 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 112.777 0.658 . . . . 1.0 112.777 179.652 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.501 0 N-CA-C 110.289 -0.263 . . . . 1.0 110.289 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -49.08 -52.29 26.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.261 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -52.62 -42.04 64.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.798 -0.761 . . . . 1.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 t -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.894 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 10.5 mm -66.45 -45.2 89.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 120.731 -0.387 . . . . 1.0 110.647 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.88 -58.26 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.054 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.61 -52.9 35.15 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -62.42 -40.53 96.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 16.6 m -52.82 -40.46 63.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.78 -48.31 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.286 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -53.91 -46.52 71.47 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.333 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.1 m-85 -63.13 -48.51 78.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.476 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.59 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.0 mt -60.09 -49.15 78.79 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.461 -0.896 . . . . 1.0 110.328 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -50.67 -45.12 57.91 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.196 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.48 -43.89 98.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 119.784 -0.767 . . . . 1.0 109.549 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.95 78.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.635 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.23 -54.78 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.561 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -36.6 80.39 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.953 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.25 -48.94 79.14 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.351 0.596 . . . . 1.0 110.138 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.895 -1.048 . . . . 1.0 111.505 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.91 -56.33 9.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.857 0.688 . . . . 1.0 112.857 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.2 p90 -77.86 -27.91 49.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 118.876 -1.129 . . . . 1.0 109.46 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.5 mt . . . . . 0 C--N 1.322 -0.629 0 C-N-CA 119.266 -0.974 . . . . 1.0 109.681 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 N--CA 1.494 1.531 0 CA-C-O 120.945 0.31 . . . . 1.0 111.397 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.81 130.59 56.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.991 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . 0.418 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -65.25 137.57 96.88 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.794 -179.237 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.43 ' HD3' HG22 ' A' ' 17' ' ' THR . 72.5 Cg_endo . . . . . 0 N--CA 1.495 1.597 0 C-N-CA 121.869 1.712 . . . . 1.0 112.112 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.235 0.313 0 CA-C-O 121.068 0.461 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.254 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 6' ' ' LEU . 35.1 tp -64.15 -43.76 94.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.781 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -55.07 -46.63 75.43 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.236 -0.654 . . . . 1.0 109.236 179.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -59.45 -40.66 87.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.949 -0.76 . . . . 1.0 108.949 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.9 -50.5 72.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.357 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.626 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.8 mt -64.61 -42.78 96.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 121.874 0.845 . . . . 1.0 109.723 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.66 -47.42 85.68 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.167 -0.958 . . . . 1.0 110.438 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.11 -42.92 96.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.268 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.5 p -64.08 -38.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.385 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 17' ' ' THR . 71.2 m -58.84 -45.37 90.2 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.029 -0.73 . . . . 1.0 109.029 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -42.07 98.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.182 -0.673 . . . . 1.0 109.182 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.34 -45.39 65.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.757 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.447 HG22 ' HD3' ' B' ' 174' ' ' PRO . 81.9 p -63.69 -40.41 96.73 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.899 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.89 -41.41 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.927 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.549 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 69.6 mm-40 -67.69 -41.28 83.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.023 0.44 . . . . 1.0 110.489 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.87 -41.16 86.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.882 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -65.84 -39.97 91.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.707 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 5.84 3.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.649 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt 70.25 26.87 4.25 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.938 0.774 . . . . 1.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.549 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -96.65 69.0 2.49 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.206 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.2 m-85 -56.89 -40.81 76.91 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.235 -0.291 . . . . 1.0 110.562 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.61 -53.82 51.16 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.13 0.49 . . . . 1.0 110.814 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 4.5 tp10 -65.26 -50.25 66.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.057 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.68 51.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.168 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 67' ' ' ALA . 11.0 tp -59.96 -43.03 95.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.719 0.295 . . . . 1.0 110.488 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 96.1 mtt180 -58.54 -46.03 87.66 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.624 -0.831 . . . . 1.0 110.58 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 31' ' ' LEU . 3.2 mm? -66.13 -39.28 89.75 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.665 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.54 -50.36 73.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.543 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.99 -41.35 99.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.538 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 30' ' ' ARG . 19.7 m80 -64.45 -51.6 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.82 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.01 -50.09 62.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.633 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 64' ' ' LEU . 55.1 t -57.55 -44.0 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.487 -178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.16 -49.86 68.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.74 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.87 -37.88 89.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.104 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 11.5 m-85 -61.58 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.012 0.434 . . . . 1.0 110.673 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.59 -38.89 91.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.45 0.643 . . . . 1.0 109.782 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.61 -35.72 81.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.265 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.486 0.66 . . . . 1.0 111.835 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.414 HG12 ' H ' ' A' ' 43' ' ' ILE . 10.0 pt -65.28 -34.33 69.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 119.549 -0.86 . . . . 1.0 111.509 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 112.636 0.606 . . . . 1.0 112.636 179.556 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' O ' HG12 ' A' ' 56' ' ' ILE . . . . . . . . 0 C--O 1.218 -0.603 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -55.02 40.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.377 . . . . 1.0 111.721 -178.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -54.78 -36.35 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.132 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.081 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 52' ' ' ALA . 15.5 mm -65.09 -47.25 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.394 -0.522 . . . . 1.0 111.002 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -56.42 -57.24 13.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.169 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.69 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.704 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -59.88 -42.94 94.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.845 -179.128 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.86 -41.31 64.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.46 -0.791 . . . . 1.0 109.559 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.49 -49.17 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.929 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.27 -46.54 76.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.483 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.7 m-85 -63.13 -50.46 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -59.91 -47.56 85.26 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.535 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -52.21 -47.2 65.74 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.421 -0.511 . . . . 1.0 110.268 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.86 -44.44 94.13 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.75 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 29' ' ' LEU . . . -62.43 -38.88 91.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.545 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.62 -54.59 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.425 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -60.97 -34.76 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.039 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.97 -47.72 85.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.2 0.524 . . . . 1.0 110.119 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -69.5 -26.52 64.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.597 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.66 -55.91 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.874 0.694 . . . . 1.0 112.874 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.622 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.1 p90 -77.9 -30.45 50.68 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.437 -0.905 . . . . 1.0 110.448 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.3 mt . . . . . 0 N--CA 1.464 0.266 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 N--CA 1.498 1.748 0 CA-C-O 120.897 0.29 . . . . 1.0 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -101.02 147.88 25.69 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.525 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.91 135.85 44.92 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.92 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 174' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.4 Cg_endo . . . . . 0 N--CA 1.494 1.545 0 C-N-CA 121.953 1.769 . . . . 1.0 111.943 178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.9 m . . . . . 0 N--CA 1.464 0.247 0 CA-C-O 120.852 0.358 . . . . 1.0 110.71 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -60.99 153.04 26.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.413 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -61.65 -43.87 98.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.206 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.51 -43.0 95.45 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.531 -0.468 . . . . 1.0 110.44 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.23 -43.62 78.78 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -63.12 -41.55 99.37 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.39 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.648 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.8 -47.94 79.08 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.327 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.591 ' O ' HG12 ' A' ' 13' ' ' VAL . 85.6 mt -63.84 -42.43 95.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 122.052 0.929 . . . . 1.0 109.712 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -58.88 -48.54 81.05 Favored 'General case' 0 C--N 1.311 -1.088 0 O-C-N 121.325 -0.859 . . . . 1.0 110.575 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.97 -42.5 97.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.454 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.4 p -66.84 -40.13 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.943 0.401 . . . . 1.0 110.609 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.46 ' O ' ' OG1' ' A' ' 17' ' ' THR . 4.8 m -56.56 -51.75 67.4 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.644 0.735 . . . . 1.0 109.102 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 25.8 ttpt -61.01 -41.58 96.83 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.188 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.6 -43.9 62.65 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.55 -0.46 . . . . 1.0 110.716 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.467 HG22 ' HD3' ' B' ' 174' ' ' PRO . 63.3 p -64.86 -39.81 94.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.653 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -63.39 -38.91 92.98 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.024 179.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -67.76 -40.62 84.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.85 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.461 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 41.5 t0 -58.86 -41.33 86.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.723 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 23' ' ' LYS . 23.2 mttt -66.29 -39.44 89.37 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.837 -0.431 . . . . 1.0 109.837 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.18 8.3 1.73 Allowed 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.489 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.0 mmtt 68.33 29.35 5.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.937 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.14 69.38 1.15 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.005 -0.543 . . . . 1.0 109.759 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.598 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.54 -40.04 77.94 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.432 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -54.16 44.06 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.991 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -63.88 -45.14 90.75 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.418 -0.513 . . . . 1.0 109.782 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.49 90.97 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.218 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.79 -45.73 91.41 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 120.954 -0.298 . . . . 1.0 111.325 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 30' ' ' ARG . 36.1 mtp-105 -60.25 -43.58 95.99 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.305 -0.558 . . . . 1.0 110.682 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 67.8 mt -67.33 -38.89 85.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.614 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -59.26 -47.75 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.928 0.394 . . . . 1.0 110.604 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.45 -40.27 96.69 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.361 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -65.44 -50.87 63.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.603 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.27 60.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.242 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.9 t -57.13 -43.33 81.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.633 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -54.91 -49.13 72.04 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.468 -0.493 . . . . 1.0 110.989 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.45 -38.69 91.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.951 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.648 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.7 m-85 -60.89 -48.49 81.56 Favored 'General case' 0 C--O 1.242 0.684 0 CA-C-O 121.128 0.49 . . . . 1.0 110.593 -179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.39 -37.85 88.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.496 0.665 . . . . 1.0 110.065 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.608 ' NE2' ' CG ' ' A' ' 45' ' ' TYR . 16.6 t60 -67.61 -31.15 70.97 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.572 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.669 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -68.25 -47.11 68.64 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.722 0.772 . . . . 1.0 111.683 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 10.1 pt -66.16 -33.07 61.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.009 0 C-N-CA 119.995 -0.682 . . . . 1.0 111.804 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -82.33 -49.82 9.61 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 112.795 0.665 . . . . 1.0 112.795 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.608 ' CG ' ' NE2' ' A' ' 41' ' ' HIS . 20.1 m-85 -86.35 -15.99 38.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.417 -0.811 . . . . 1.0 112.201 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.669 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 84.1 mt-10 -120.72 149.65 42.19 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 109.287 -0.635 . . . . 1.0 109.287 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -95.35 140.65 29.93 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.749 -179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 96.8 m-70 -159.24 155.51 27.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.565 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.5 m -57.02 166.98 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.25 0.547 . . . . 1.0 110.963 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.51 -52.24 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.328 -0.549 . . . . 1.0 109.852 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -52.26 -33.9 43.88 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.724 -0.473 . . . . 1.0 109.724 -179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.21 -54.76 24.55 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-N 116.148 -0.478 . . . . 1.0 109.732 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.7 mptp? -53.84 -49.9 67.4 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.473 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -55.02 -39.21 68.87 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.765 -0.457 . . . . 1.0 109.765 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.5 t -62.23 -44.4 96.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.324 -0.551 . . . . 1.0 110.004 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -67.61 -45.06 85.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.412 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.293 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -62.46 -36.68 83.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.857 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.31 -50.68 36.73 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.058 0.932 . . . . 1.0 110.766 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -66.82 -36.46 82.42 Favored 'General case' 0 C--N 1.314 -0.945 0 O-C-N 121.787 -0.571 . . . . 1.0 110.335 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.3 m -56.48 -50.78 70.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.214 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -63.34 -28.99 46.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.663 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -71.09 -46.36 61.94 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.509 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.7 m-85 -62.82 -48.17 80.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.585 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.551 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.4 mt -60.35 -49.83 76.01 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.06 -0.656 . . . . 1.0 110.445 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -49.73 -45.78 49.65 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 120.536 -0.466 . . . . 1.0 109.852 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HG3' HG11 ' B' ' 173' ' ' VAL . 18.9 mmm180 -61.25 -44.06 97.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.422 0.629 . . . . 1.0 109.627 179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.75 -36.77 81.97 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.205 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.33 -55.59 23.34 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.333 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.26 -37.1 81.92 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.42 -0.512 . . . . 1.0 110.45 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.4 mt -60.1 -47.97 83.66 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.417 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -72.65 -22.81 60.88 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.193 -0.912 . . . . 1.0 110.7 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.81 -56.66 9.44 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 112.673 0.619 . . . . 1.0 112.673 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.7 p90 -76.72 -29.28 56.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.613 -0.721 . . . . 1.0 110.297 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.7 mt -61.03 -46.97 88.58 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.21 -0.596 . . . . 1.0 109.441 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 . . . . . 0 N--CA 1.451 -0.42 0 N-CA-C 109.466 -0.568 . . . . 1.0 109.466 179.092 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 97.2 mt . . . . . 0 CA--C 1.515 -0.371 0 CA-C-O 120.832 0.349 . . . . 1.0 110.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -125.97 109.65 12.69 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.273 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 8.2 mt -103.99 161.28 23.42 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.019 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -89.26 166.56 5.45 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.285 1.99 . . . . 1.0 111.898 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -115.32 126.32 54.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.291 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.472 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.34 143.12 19.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.772 -179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.467 ' HD3' HG22 ' A' ' 17' ' ' THR . 59.6 Cg_endo -75.67 120.56 5.91 Favored 'Trans proline' 0 N--CA 1.492 1.42 0 C-N-CA 122.121 1.881 . . . . 1.0 111.808 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 30.8 t -81.69 84.29 6.85 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 120.927 0.394 . . . . 1.0 110.079 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -87.33 166.15 27.26 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.47 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -92.19 49.28 0.54 Allowed 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 122.663 2.242 . . . . 1.0 111.934 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.62 ' H ' HD12 ' B' ' 178' ' ' LEU . 0.1 OUTLIER -88.54 156.42 50.58 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.129 -179.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo . . . . . 0 C--N 1.306 -1.661 0 C-N-CA 122.245 1.963 . . . . 1.0 112.327 179.539 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 120.912 0.387 . . . . 1.0 110.448 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 t -56.29 148.82 17.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.405 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.1 m -60.86 -40.73 94.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.106 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.23 -45.52 84.33 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 121.076 0.465 . . . . 1.0 110.743 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -58.73 -43.4 90.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.359 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -64.25 -44.26 92.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.657 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.622 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.26 -46.6 79.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.238 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.611 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.98 -42.65 96.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 CA-C-O 121.927 0.87 . . . . 1.0 109.772 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -58.24 -47.92 82.02 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 121.567 -0.708 . . . . 1.0 110.682 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.8 mt -63.46 -44.08 95.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 1.0 111.34 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.4 p -67.09 -39.51 83.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.777 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.533 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.4 m -56.81 -51.54 68.58 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.418 0.628 . . . . 1.0 109.398 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.3 ttpt -62.65 -41.2 98.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.892 -0.594 . . . . 1.0 109.445 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.416 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.05 -43.54 63.82 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.853 -0.339 . . . . 1.0 110.404 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.533 ' OG1' ' O ' ' A' ' 14' ' ' THR . 38.0 p -65.46 -38.83 90.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.737 -179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -65.66 -37.41 86.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.487 0.661 . . . . 1.0 110.288 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.69 -40.55 76.29 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.591 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.33 -41.34 88.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.166 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.3 mttt -66.1 -38.81 89.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.041 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 9.88 1.43 Allowed 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.57 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 40.7 mmtm 67.25 27.66 8.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.767 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -100.18 68.4 1.44 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.288 0.566 . . . . 1.0 109.903 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.5 m-85 -56.85 -42.81 80.39 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.832 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 81.0 mt-10 -59.74 -55.34 35.56 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.52 -0.472 . . . . 1.0 111.266 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -63.55 -45.37 90.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.402 . . . . 1.0 110.334 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.22 90.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.262 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 37.6 tp -58.25 -46.51 85.84 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 121.019 -0.272 . . . . 1.0 111.147 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -59.33 -42.94 92.65 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.366 -0.534 . . . . 1.0 110.476 -178.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 54.1 mt -68.05 -39.05 83.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.462 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -59.36 -49.34 78.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.037 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.56 -42.31 98.35 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.666 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -63.95 -50.12 69.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.728 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.67 71.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.621 -179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.511 HG21 ' HG ' ' A' ' 64' ' ' LEU . 37.1 t -57.31 -43.0 81.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.342 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -55.67 -48.59 74.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.426 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -62.7 -38.99 92.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.569 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.9 m-85 -61.68 -51.17 69.54 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.111 0.481 . . . . 1.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.43 -38.75 88.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.802 -0.636 . . . . 1.0 109.907 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.623 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 21.2 t60 -66.05 -34.1 77.3 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.497 0.665 . . . . 1.0 110.605 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.712 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.24 -46.7 79.51 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.804 0.812 . . . . 1.0 111.565 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.9 pt -66.95 -33.59 64.37 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.527 -0.469 . . . . 1.0 111.595 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -83.56 -50.97 7.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.229 0.538 . . . . 1.0 112.124 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 45.1 m-85 -85.67 -16.92 37.55 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 115.764 -0.653 . . . . 1.0 112.34 -177.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.712 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 76.0 mt-10 -121.79 143.14 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -89.15 147.73 24.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.683 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.462 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 96.2 m-70 -156.65 -170.69 3.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.667 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -93.1 147.43 22.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 1.0 110.837 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -47.53 -35.13 8.46 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.309 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.91 -38.88 87.03 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.991 -0.55 . . . . 1.0 109.883 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.29 -56.18 14.14 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.896 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.04 -53.92 14.73 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.609 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -51.56 -40.58 60.01 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.472 -0.491 . . . . 1.0 110.029 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -63.99 -42.87 97.05 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.196 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 52' ' ' ALA . 14.7 mm -66.92 -46.58 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.501 -178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -59.61 -59.25 5.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.058 0.456 . . . . 1.0 110.251 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.18 -52.28 45.8 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-O 120.956 0.408 . . . . 1.0 110.646 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 17.6 mmmt -62.11 -41.79 98.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.51 -40.6 62.6 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.729 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.13 -48.55 83.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 1.0 109.838 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -54.66 -46.37 73.99 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.496 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.48 -51.04 69.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.999 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.8 mt -58.89 -51.24 70.86 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.509 -0.476 . . . . 1.0 110.268 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -47.33 -47.81 25.6 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.233 -0.284 . . . . 1.0 110.233 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.426 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 31.3 mmm-85 -59.68 -44.61 93.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.41 0.624 . . . . 1.0 110.09 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.93 -37.14 81.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.485 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -64.55 -56.18 15.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -59.18 -36.96 76.25 Favored 'General case' 0 C--O 1.242 0.708 0 CA-C-O 120.84 0.352 . . . . 1.0 110.308 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.502 ' O ' HD12 ' A' ' 74' ' ' LEU . 28.8 mt -60.18 -47.37 86.24 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.559 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -72.17 -23.25 61.25 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-N 115.43 -0.805 . . . . 1.0 110.192 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -66.46 -57.34 7.57 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-O 121.454 0.645 . . . . 1.0 112.698 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.61 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -78.12 -27.99 48.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.408 -179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt -61.74 -49.69 75.39 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 178.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 . . . . . 0 C--O 1.235 0.336 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.241 179.549 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 86.9 mt . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.831 0.348 . . . . 1.0 110.372 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.67 108.08 14.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.602 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 11.3 mt -98.66 163.49 18.86 Favored Pre-proline 0 N--CA 1.454 -0.259 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.748 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . 0.43 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 33.8 Cg_endo -87.93 156.78 7.28 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.324 2.016 . . . . 1.0 112.217 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . 0.406 ' OE2' ' O ' ' B' ' 173' ' ' VAL . 11.9 tm-20 -100.24 125.73 46.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.664 179.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.406 ' O ' ' OE2' ' B' ' 172' ' ' GLU . 0.0 OUTLIER -53.47 134.29 53.35 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.929 -179.366 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.449 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.8 Cg_endo -71.16 152.19 61.75 Favored 'Trans proline' 0 C--N 1.309 -1.5 0 C-N-CA 122.399 2.066 . . . . 1.0 112.34 179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 16.3 m -112.86 86.9 2.46 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.535 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -85.84 170.58 12.52 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.509 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -85.69 19.77 1.34 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.416 2.077 . . . . 1.0 112.35 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' B' ' 179' ' ' PRO . 1.8 pp -45.84 137.7 5.84 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.476 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.433 ' C ' ' O ' ' B' ' 178' ' ' LEU . 60.3 Cg_exo . . . . . 0 C--N 1.314 -1.266 0 C-N-CA 122.527 2.151 . . . . 1.0 112.451 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.6 m . . . . . 0 N--CA 1.467 0.407 0 CA-C-O 121.005 0.431 . . . . 1.0 110.585 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 m -62.32 150.53 39.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.23 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.2 m -61.59 -43.1 99.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.023 -179.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.07 -45.5 85.04 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.237 0.541 . . . . 1.0 110.74 -179.252 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -59.16 -41.95 89.58 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.379 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -43.78 91.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.569 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.7 -46.18 84.7 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.474 -0.49 . . . . 1.0 110.287 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.579 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.5 mt -63.08 -42.18 95.62 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-O 121.99 0.9 . . . . 1.0 109.609 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -59.15 -48.5 81.39 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 121.205 -0.934 . . . . 1.0 110.635 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.27 -42.99 99.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.306 -178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.7 p -66.53 -39.82 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.568 -0.453 . . . . 1.0 110.613 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 17' ' ' THR . 16.4 m -57.16 -51.8 67.87 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.65 0.738 . . . . 1.0 109.354 -179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -61.03 -40.8 94.98 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.7 -0.8 . . . . 1.0 108.952 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.13 -44.24 64.41 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.389 -0.525 . . . . 1.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 14' ' ' THR . 45.6 p -64.53 -41.32 96.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.907 -179.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.16 -40.66 96.75 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.963 -0.695 . . . . 1.0 110.257 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -65.09 -39.02 92.58 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.97 -0.559 . . . . 1.0 109.803 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -60.13 -39.29 85.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.913 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' A' ' 23' ' ' LYS . 56.3 mttt -66.16 -39.91 90.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.039 0.447 . . . . 1.0 109.862 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.25 9.89 1.48 Allowed 'General case' 0 CA--C 1.513 -0.443 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.762 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.5 mmtt 66.61 28.41 9.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.677 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -99.71 69.45 1.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.319 0.581 . . . . 1.0 109.863 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.72 -40.64 84.31 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.558 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -61.2 -53.09 61.28 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 120.428 -0.509 . . . . 1.0 111.241 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.97 -45.36 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.165 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.77 -43.94 90.51 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.398 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.2 tp -59.35 -45.63 90.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.086 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -59.87 -44.28 94.27 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.709 -0.796 . . . . 1.0 110.541 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.9 mt -66.33 -38.93 88.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.773 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.36 -48.25 82.34 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.727 -0.389 . . . . 1.0 110.728 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -63.35 -41.19 98.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.556 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -64.38 -49.59 71.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.456 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -52.03 -49.2 63.87 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.091 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.562 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.6 t -57.73 -43.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.377 -179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -54.66 -49.51 70.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.748 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -63.57 -38.01 89.51 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.619 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.3 m-85 -61.41 -48.63 80.34 Favored 'General case' 0 C--O 1.243 0.755 0 CA-C-O 121.434 0.635 . . . . 1.0 110.669 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.866 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 84.2 mt -63.01 -40.08 96.7 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-N 115.537 -0.756 . . . . 1.0 109.636 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.6 t60 -64.4 -36.44 84.15 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 121.24 0.543 . . . . 1.0 110.732 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -64.43 -46.57 82.62 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.323 0.582 . . . . 1.0 112.482 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' H ' HG12 ' A' ' 43' ' ' ILE . 15.3 pt -63.46 -33.17 59.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 O-C-N 121.566 -0.709 . . . . 1.0 111.775 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 17.0 mtpt -84.99 -45.95 11.67 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 112.821 0.675 . . . . 1.0 112.821 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.644 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 70.8 m-85 -90.9 -17.25 26.77 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.756 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 68.8 mm-40 -121.57 130.8 53.75 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -80.3 139.49 36.6 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.804 -0.635 . . . . 1.0 111.024 -178.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 53' ' ' LYS . 86.3 m-70 -156.75 158.16 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.549 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.565 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 24.4 m -56.72 148.48 20.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.271 0.558 . . . . 1.0 110.291 -178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -55.04 -29.83 58.29 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.695 -0.684 . . . . 1.0 109.834 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -64.95 -41.3 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.735 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -63.3 -53.47 52.22 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 115.814 -0.63 . . . . 1.0 109.684 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.691 ' N ' ' HZ2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -47.58 -52.87 16.28 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 119.831 -0.748 . . . . 1.0 110.727 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -53.14 -39.78 63.77 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.867 -0.733 . . . . 1.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -63.84 -43.16 96.98 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.07 -0.652 . . . . 1.0 110.501 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.9 mm -67.69 -46.47 82.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.721 -0.391 . . . . 1.0 110.481 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.33 -58.24 9.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.03 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.07 -50.14 62.12 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 121.495 0.664 . . . . 1.0 110.42 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -63.16 -41.82 99.32 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.2 m -52.42 -38.69 59.71 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 62.2 t -65.75 -47.81 84.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.589 -0.523 . . . . 1.0 109.589 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -55.65 -47.56 76.46 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.529 -0.468 . . . . 1.0 110.277 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -62.18 -50.22 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.715 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.9 mt -59.72 -48.0 83.42 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 119.983 -0.687 . . . . 1.0 110.42 -179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -51.02 -45.03 61.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 30.5 mmm-85 -60.94 -44.42 97.29 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.037 -0.665 . . . . 1.0 109.825 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.66 -36.57 81.22 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.457 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -63.87 -54.8 29.2 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.299 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.4 ptmt -61.86 -36.7 82.0 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.164 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 74' ' ' LEU . 26.7 mt -60.39 -48.44 81.75 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.537 -179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -72.03 -23.61 61.41 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 114.954 -1.021 . . . . 1.0 110.842 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -65.79 -56.27 12.81 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 112.631 0.604 . . . . 1.0 112.631 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 p90 -78.12 -29.11 48.69 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.68 -0.808 . . . . 1.0 110.268 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.7 mt -60.96 -48.35 82.22 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.1 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 . . . . . 0 N--CA 1.45 -0.459 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.324 179.116 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 CA--C 1.505 -0.772 0 CA-C-O 121.403 0.621 . . . . 1.0 110.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -131.42 117.37 18.76 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.826 -1.079 . . . . 1.0 110.552 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 13.4 mt -120.37 159.21 48.76 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.917 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -92.44 169.24 2.69 Favored 'Trans proline' 0 N--CA 1.499 1.801 0 C-N-CA 122.362 2.041 . . . . 1.0 111.94 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.7 tp10 -110.0 137.44 47.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.166 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.42 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.57 138.58 93.68 Favored Pre-proline 0 CA--C 1.54 0.565 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.828 -179.293 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.481 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 72.7 Cg_endo -73.42 158.39 48.15 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 122.256 1.971 . . . . 1.0 111.86 178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 50.1 m -125.51 84.81 2.32 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 109.735 -0.468 . . . . 1.0 109.735 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -86.77 169.06 15.89 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -68.64 47.65 0.42 Allowed 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 122.122 1.881 . . . . 1.0 111.747 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 179' ' ' PRO . 24.4 mt -60.64 138.44 92.99 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.47 -178.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 178' ' ' LEU . 75.3 Cg_exo . . . . . 0 N--CA 1.489 1.231 0 C-N-CA 122.149 1.899 . . . . 1.0 112.845 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 120.925 0.393 . . . . 1.0 110.595 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -63.69 152.55 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.366 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -61.07 -44.5 97.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.348 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.94 -45.39 81.99 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.395 0.616 . . . . 1.0 111.155 -179.517 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -59.21 -46.83 87.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.797 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -63.06 -43.89 97.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.481 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.35 -43.94 75.48 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.633 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.66 -41.54 92.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-O 122.017 0.913 . . . . 1.0 109.447 179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -58.5 -47.35 84.39 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 121.512 -0.742 . . . . 1.0 110.615 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.3 mt -63.6 -44.64 93.41 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.415 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 3.2 p -65.1 -38.25 82.26 Favored 'Isoleucine or valine' 0 C--O 1.242 0.673 0 CA-C-O 121.164 0.507 . . . . 1.0 111.204 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 17' ' ' THR . 59.6 m -59.05 -48.28 82.17 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.247 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.5 tppt? -60.31 -40.69 91.48 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.3 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -52.51 -45.83 66.4 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.513 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.679 HG22 ' HD3' ' B' ' 174' ' ' PRO . 52.9 p -63.33 -38.94 93.09 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.264 -178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -66.84 -38.29 86.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.945 -0.571 . . . . 1.0 109.91 179.121 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.414 ' OE1' ' CB ' ' A' ' 24' ' ' ASN . 69.1 mm-40 -70.93 -47.19 60.42 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.991 -0.549 . . . . 1.0 109.683 -178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -54.86 -45.99 74.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.981 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 23' ' ' LYS . 43.1 mtmt -65.76 -36.1 82.6 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.861 179.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.15 8.14 1.79 Allowed 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.28 179.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.3 mmtp 69.42 31.2 3.88 Favored 'General case' 0 C--O 1.238 0.492 0 O-C-N 123.849 0.718 . . . . 1.0 110.726 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' CB ' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -107.99 68.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.323 0.582 . . . . 1.0 109.771 179.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 8.0 m-85 -54.55 -42.93 71.53 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.48 -55.2 33.73 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 120.317 -0.553 . . . . 1.0 111.84 -179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -60.53 -45.26 94.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.05 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.03 -40.5 81.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.102 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -45.4 93.44 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 120.786 -0.366 . . . . 1.0 111.245 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.99 -43.1 95.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.194 -0.602 . . . . 1.0 110.029 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -64.37 -42.53 96.13 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 122.353 -0.217 . . . . 1.0 111.404 -179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -60.31 -48.84 80.02 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 123.766 0.666 . . . . 1.0 111.554 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -63.64 -45.0 92.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.108 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -62.41 -48.42 79.8 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.595 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.69 76.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.637 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.484 HG21 ' HG ' ' A' ' 64' ' ' LEU . 43.1 t -55.27 -42.67 67.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.409 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.3 tt0 -56.07 -50.66 70.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.511 -179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -62.73 -39.85 95.39 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 1.0 110.703 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.1 m-85 -60.82 -48.8 80.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.48 -39.03 93.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.469 0.652 . . . . 1.0 110.214 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 8.0 t60 -68.77 -21.87 64.32 Favored 'General case' 0 C--O 1.212 -0.882 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.615 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -76.07 -49.39 17.62 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-O 121.342 0.591 . . . . 1.0 111.255 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.449 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.0 pt -64.36 -30.48 50.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 C-N-CA 120.625 -0.43 . . . . 1.0 111.728 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -82.09 -48.52 11.26 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.228 0.537 . . . . 1.0 111.554 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.596 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 26.8 m-85 -88.86 -4.17 58.55 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.724 -0.671 . . . . 1.0 112.119 -178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.604 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 40.6 mm-40 -129.52 157.16 42.8 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 48' ' ' HIS . . . -82.92 -98.4 0.05 OUTLIER 'General case' 0 CA--C 1.502 -0.873 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.414 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' ' 47' ' ' ALA . 80.2 m-70 85.97 178.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.401 1.063 . . . . 1.0 109.817 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -88.22 176.37 7.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.03 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -69.89 -49.73 49.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.839 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -62.4 -26.21 68.35 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.572 ' HB1' ' CD1' ' B' ' 168' ' ' ILE . . . -69.9 -50.26 44.05 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' CE ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -58.49 -47.95 82.42 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.95 -0.3 . . . . 1.0 110.441 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -58.18 -35.61 71.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.169 179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.4 t -62.69 -41.5 99.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.068 0.461 . . . . 1.0 110.135 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.525 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 8.9 mm -69.3 -44.58 80.31 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.984 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -64.16 -41.73 97.03 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.113 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -66.76 -46.24 76.0 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.847 0.832 . . . . 1.0 110.879 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.498 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 1.0 OUTLIER -71.14 -35.67 71.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.311 0.577 . . . . 1.0 110.765 179.077 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 9.2 m -56.44 -47.39 79.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.724 -179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.3 p -66.06 -30.53 50.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.763 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -66.09 -44.99 82.79 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.353 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.72 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 26.0 m-85 -67.11 -42.4 84.59 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.76 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.9 mt -66.71 -28.19 68.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.263 179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -69.29 -47.9 63.21 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.282 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.49 HH12 HD11 ' B' ' 178' ' ' LEU . 13.7 mmm180 -64.14 -40.05 95.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.54 0.686 . . . . 1.0 110.049 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.0 85.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.492 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -67.53 -56.71 8.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.444 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -60.54 -35.7 76.64 Favored 'General case' 0 C--O 1.239 0.528 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 74' ' ' LEU . 16.0 mt -58.71 -46.68 86.78 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.147 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -72.71 -23.18 60.82 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.699 0.761 . . . . 1.0 109.869 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -66.94 -57.37 7.05 Favored 'General case' 0 C--O 1.241 0.634 0 N-CA-C 113.138 0.792 . . . . 1.0 113.138 -177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.596 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.5 p90 -77.05 -29.02 54.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.599 -0.728 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.4 mt -62.26 -47.1 85.87 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.499 -0.556 . . . . 1.0 109.499 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 . . . . . 0 C--O 1.234 0.254 0 CA-C-O 121.093 0.473 . . . . 1.0 110.444 179.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.572 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 67.2 mt . . . . . 0 CA--C 1.519 -0.219 0 CA-C-O 120.879 0.371 . . . . 1.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -132.11 103.04 6.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.769 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.51 163.86 29.05 Favored Pre-proline 0 N--CA 1.453 -0.323 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.765 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . 0.498 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 29.2 Cg_endo -87.29 164.38 8.31 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.343 2.029 . . . . 1.0 111.949 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -104.03 126.36 51.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.589 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.475 ' HA ' ' HD3' ' B' ' 174' ' ' PRO . 0.0 OUTLIER -50.97 144.03 14.45 Favored Pre-proline 0 N--CA 1.443 -0.819 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.758 -179.344 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.679 ' HD3' HG22 ' A' ' 17' ' ' THR . 7.2 Cg_exo -71.71 156.75 56.86 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.31 2.007 . . . . 1.0 112.137 179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 25.2 m -125.04 85.8 2.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.048 0.451 . . . . 1.0 110.42 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -86.97 166.79 24.68 Favored Pre-proline 0 N--CA 1.447 -0.598 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.579 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_exo -67.99 57.09 0.82 Allowed 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.454 2.103 . . . . 1.0 112.027 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.785 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.5 OUTLIER -126.58 145.17 52.22 Favored Pre-proline 0 C--N 1.333 -0.124 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.126 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.438 ' C ' ' O ' ' B' ' 178' ' ' LEU . 76.6 Cg_exo . . . . . 0 C--N 1.307 -1.641 0 C-N-CA 122.541 2.161 . . . . 1.0 112.349 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.0 m . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.679 0.276 . . . . 1.0 110.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 m -59.63 154.7 17.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.121 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -60.87 -45.23 95.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.093 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 37.5 tp -68.41 -42.98 78.19 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.276 -0.57 . . . . 1.0 111.078 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -58.46 -46.48 86.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.857 -0.61 . . . . 1.0 109.709 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.0 tptt -61.39 -37.66 84.25 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.615 -0.72 . . . . 1.0 109.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.623 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.21 -42.23 90.48 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.482 0.658 . . . . 1.0 110.081 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.0 -41.36 91.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 122.078 0.942 . . . . 1.0 110.062 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -63.65 -43.5 96.55 Favored 'General case' 0 C--N 1.314 -0.976 0 C-N-CA 120.271 -0.572 . . . . 1.0 110.558 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 mt -64.19 -45.02 90.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.722 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 63' ' ' TYR . 9.8 p -69.06 -34.2 62.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.324 -0.55 . . . . 1.0 110.616 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.42 ' O ' ' OG1' ' A' ' 17' ' ' THR . 98.7 m -58.97 -48.24 82.25 Favored 'General case' 0 C--O 1.244 0.809 0 CA-C-O 121.837 0.827 . . . . 1.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -63.53 -41.78 98.46 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.434 178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.79 -43.22 62.96 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.538 -0.465 . . . . 1.0 111.053 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 41.1 p -66.74 -36.27 82.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.439 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -66.97 -40.04 87.35 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.566 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -70.12 -42.12 73.06 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.18 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -57.28 -44.15 83.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.626 -0.716 . . . . 1.0 109.657 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 23' ' ' LYS . 38.6 mtmt -66.46 -38.32 87.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.04 -0.527 . . . . 1.0 109.773 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.33 11.91 0.53 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.347 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' H ' ' C ' ' A' ' 21' ' ' LYS . 15.4 mmmt 66.02 22.64 11.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.526 178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -96.15 69.68 2.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.569 0.699 . . . . 1.0 109.913 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.584 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 2.6 m-85 -55.39 -45.8 76.58 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.747 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -59.01 -54.1 50.88 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.462 -0.495 . . . . 1.0 111.685 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -63.96 -46.39 84.87 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.071 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.81 -44.69 78.09 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.513 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.456 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -59.16 -46.75 87.56 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.939 -179.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -58.49 -42.92 88.68 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.736 -0.786 . . . . 1.0 110.326 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.6 mt -66.62 -40.64 88.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.73 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -59.89 -49.51 77.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 1.0 110.785 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -60.83 -45.38 94.68 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.481 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -60.01 -49.32 78.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.273 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.91 -49.66 65.49 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.568 HG21 ' HG ' ' A' ' 64' ' ' LEU . 51.8 t -56.16 -45.64 80.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.366 -178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -55.58 -49.5 72.58 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.207 0.527 . . . . 1.0 110.714 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' HB3' ' HB2' ' A' ' 9' ' ' ALA . 19.3 m-85 -63.74 -40.25 96.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.767 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.623 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.0 m-85 -61.54 -50.38 72.89 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 121.377 0.608 . . . . 1.0 110.18 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' ' 44' ' ' LYS . 81.7 mt -63.16 -42.5 99.43 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.921 -179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.622 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 t60 -64.45 -28.04 69.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.199 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.599 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -73.49 -46.93 45.11 Favored 'General case' 0 C--O 1.21 -0.991 0 N-CA-C 112.185 0.439 . . . . 1.0 112.185 -179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.41 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.9 pt -59.26 -29.47 41.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 120.143 -0.623 . . . . 1.0 111.198 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.55 ' CG ' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -83.86 -41.4 17.51 Favored 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 112.374 0.509 . . . . 1.0 112.374 178.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.622 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 39.0 m-85 -95.69 -11.58 26.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.277 -177.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 42' ' ' ALA . 57.9 mm-40 -123.85 32.91 5.44 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.498 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.493 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -17.5 84.23 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.367 1.042 . . . . 1.0 111.08 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.803 ' H ' ' HZ1' ' A' ' 53' ' ' LYS . 63.9 m-70 -79.38 -143.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.569 -0.741 . . . . 1.0 109.979 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' H ' ' HB3' ' A' ' 48' ' ' HIS . 1.4 m -103.56 154.51 19.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.65 -0.5 . . . . 1.0 109.65 178.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -48.44 -39.31 22.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -64.13 -42.2 96.92 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.392 0.615 . . . . 1.0 109.832 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -63.39 -55.85 21.05 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.43 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.803 ' HZ1' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -48.11 -53.1 17.75 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.08 -0.648 . . . . 1.0 110.743 -179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -52.59 -41.52 63.71 Favored 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.644 -0.822 . . . . 1.0 109.652 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.4 t -63.29 -44.05 96.12 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.886 -0.725 . . . . 1.0 110.591 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.8 mm -68.48 -44.4 83.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-O 121.044 0.45 . . . . 1.0 110.847 -178.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -62.06 -38.46 88.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.75 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.531 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.61 -48.74 63.34 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 122.084 0.945 . . . . 1.0 110.546 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -66.62 -37.04 84.03 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.588 0.709 . . . . 1.0 110.495 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.431 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 15.9 m -55.5 -51.42 67.06 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.142 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -63.82 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.832 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -69.27 -46.49 67.1 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.481 -0.487 . . . . 1.0 110.726 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.748 ' CE1' HG21 ' A' ' 13' ' ' VAL . 28.0 m-85 -62.06 -49.04 77.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.702 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.8 mt -60.2 -50.75 72.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 119.661 -0.815 . . . . 1.0 109.771 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.699 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 62.9 t0 -48.94 -41.32 33.48 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.249 -0.648 . . . . 1.0 109.249 -178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -68.07 -46.55 70.74 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 119.526 -0.869 . . . . 1.0 110.929 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.5 -40.42 94.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.477 -177.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.699 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -64.71 -47.66 77.51 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.99 0.367 . . . . 1.0 111.99 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.619 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -62.95 -33.71 75.93 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.84 -0.744 . . . . 1.0 109.565 -179.231 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD23 ' HE2' ' A' ' 73' ' ' TYR . 32.4 mt -61.81 -45.1 95.3 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.362 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' N ' HD11 ' A' ' 29' ' ' LEU . 31.8 ttmt -70.93 -23.55 62.27 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 114.513 -1.221 . . . . 1.0 110.544 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -67.32 -57.09 7.28 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.761 0.791 . . . . 1.0 112.947 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.584 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.9 p90 -75.92 -29.97 58.58 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.42 -0.912 . . . . 1.0 110.176 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt -60.94 -47.72 85.12 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.401 -0.519 . . . . 1.0 110.277 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.9 ttt85 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.987 -0.552 . . . . 1.0 109.912 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.47 0.541 0 CA-C-O 120.876 0.369 . . . . 1.0 110.22 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -131.77 109.93 10.49 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.228 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 1.8 mp -106.09 164.24 15.38 Favored Pre-proline 0 C--N 1.332 -0.168 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.317 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -85.12 164.77 11.37 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 122.062 1.841 . . . . 1.0 111.848 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -108.6 143.6 37.43 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.343 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.415 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -67.65 134.75 92.54 Favored Pre-proline 0 CA--C 1.541 0.621 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.94 -178.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 58.7 Cg_endo -72.02 137.21 28.76 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.029 1.819 . . . . 1.0 111.786 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 25.9 p -110.28 85.23 2.07 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.854 0.359 . . . . 1.0 110.164 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -87.27 171.3 10.1 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.518 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -70.74 46.55 0.63 Allowed 'Trans proline' 0 N--CA 1.497 1.725 0 C-N-CA 122.037 1.824 . . . . 1.0 111.525 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.68 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.4 OUTLIER -104.71 147.94 35.26 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.205 -0.294 . . . . 1.0 110.205 -179.03 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.475 ' O ' ' NZ ' ' A' ' 69' ' ' LYS . 65.4 Cg_exo . . . . . 0 N--CA 1.496 1.637 0 C-N-CA 122.374 2.049 . . . . 1.0 111.656 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.755 0.312 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -57.84 147.75 27.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.407 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m -61.17 -41.82 97.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -64.84 -45.7 85.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.253 0.549 . . . . 1.0 110.89 -179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -58.36 -44.6 88.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.437 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mmtm -63.1 -43.75 97.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.461 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.23 -47.65 78.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.229 -179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.3 mt -63.87 -42.3 95.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.42 0 CA-C-O 121.995 0.903 . . . . 1.0 109.786 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -59.58 -47.84 84.01 Favored 'General case' 0 C--N 1.31 -1.137 0 O-C-N 121.184 -0.948 . . . . 1.0 110.764 -178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.2 mt -64.54 -42.57 95.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.176 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.3 p -66.78 -39.57 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.567 -0.453 . . . . 1.0 110.355 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.483 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.4 m -58.93 -48.87 79.95 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.465 0.65 . . . . 1.0 109.437 -179.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.4 ttmt -61.05 -40.82 95.08 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.078 -0.712 . . . . 1.0 109.078 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -55.39 -42.58 74.2 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.324 -0.55 . . . . 1.0 111.059 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.9 p -65.18 -41.8 94.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.175 -179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 3.3 pt-20 -63.42 -41.51 98.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.549 0.69 . . . . 1.0 110.473 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.57 -39.32 94.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.604 -0.726 . . . . 1.0 109.425 -179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -60.03 -39.51 86.15 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.901 -0.591 . . . . 1.0 109.77 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 23' ' ' LYS . 57.9 mttt -65.09 -40.28 94.37 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.709 -0.478 . . . . 1.0 109.709 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.84 10.81 1.26 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.499 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.7 mmtp 66.17 28.22 10.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.844 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -99.12 69.64 1.74 Allowed 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 121.32 0.581 . . . . 1.0 109.889 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 5.1 m-85 -57.25 -42.68 82.0 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 122.123 -0.361 . . . . 1.0 110.644 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.1 -53.16 61.03 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.002 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 14.0 tp10 -66.47 -43.64 84.91 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 121.906 0.86 . . . . 1.0 109.848 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -44.06 96.67 Favored 'General case' 0 C--N 1.311 -1.1 0 O-C-N 121.493 -0.754 . . . . 1.0 110.569 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.6 tp -59.12 -48.64 80.85 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.574 0.583 . . . . 1.0 112.574 -178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 12.4 ptm180 -60.84 -40.65 93.63 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.577 -0.849 . . . . 1.0 110.094 -178.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 58.4 mt -64.82 -39.63 93.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -60.02 -47.88 84.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.702 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.21 -42.67 99.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.513 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -63.56 -49.43 73.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.391 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.99 -49.42 63.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.079 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 64' ' ' LEU . 50.9 t -57.84 -45.37 87.36 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.255 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -53.32 -49.37 67.19 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 120.064 -0.654 . . . . 1.0 111.067 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -61.85 -37.99 86.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.508 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.598 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 17.6 m-85 -61.88 -50.05 73.76 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.034 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.871 HD13 HD11 ' A' ' 43' ' ' ILE . 3.7 mm? -61.39 -39.34 90.32 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 121.285 0.564 . . . . 1.0 110.26 179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.638 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 19.3 t-80 -67.01 -30.38 70.47 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.333 0.587 . . . . 1.0 110.062 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.545 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -69.97 -47.82 60.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.501 0.667 . . . . 1.0 111.333 -179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.871 HD11 HD13 ' A' ' 40' ' ' LEU . 18.6 pt -64.13 -32.38 57.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.931 0 C-N-CA 119.969 -0.692 . . . . 1.0 111.248 179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.45 -47.83 11.78 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 121.164 0.507 . . . . 1.0 112.289 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.638 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 22.5 m-85 -90.02 -10.09 46.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.572 -0.74 . . . . 1.0 111.994 -177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' ' C ' ' A' ' 47' ' ' ALA . 83.9 mt-10 -129.7 27.5 5.22 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.499 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -7.89 100.01 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.087 0.867 . . . . 1.0 111.483 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.546 ' CD2' ' O ' ' A' ' 46' ' ' GLU . 82.7 m-70 -100.48 170.27 8.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.082 -178.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -55.89 159.68 3.07 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.962 -0.384 . . . . 1.0 109.962 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -59.24 -37.5 77.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.492 -178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -64.25 -47.74 78.45 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 121.291 0.567 . . . . 1.0 109.924 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' B' ' 168' ' ' ILE . . . -63.18 -51.9 64.49 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.704 178.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' CE ' ' O ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -52.07 -52.2 52.69 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.755 -178.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.72 -39.43 62.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.174 -0.466 . . . . 1.0 109.804 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 14.5 t -62.19 -44.13 97.29 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 119.836 -0.746 . . . . 1.0 110.415 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.533 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 18.6 mm -64.83 -49.17 81.28 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-O 120.865 0.364 . . . . 1.0 110.847 -178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -54.21 -58.1 8.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.251 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.68 -51.26 57.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.053 0.454 . . . . 1.0 110.64 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.42 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.1 tptt -60.71 -42.35 97.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.243 0.544 . . . . 1.0 110.941 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.533 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 92.3 m -52.88 -43.09 65.87 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.987 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.7 -48.84 84.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.327 -0.549 . . . . 1.0 109.82 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -54.48 -46.81 73.48 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.625 -0.43 . . . . 1.0 110.356 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.4 m-85 -62.48 -50.21 72.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.732 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.4 mt -59.79 -48.61 80.98 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.942 -0.703 . . . . 1.0 110.514 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -50.88 -45.67 60.13 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.48 -0.488 . . . . 1.0 109.928 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.0 mmm-85 -60.0 -45.85 91.4 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 119.98 -0.688 . . . . 1.0 110.112 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.415 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.58 -36.97 79.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.731 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.75 -54.52 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.268 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.95 -36.52 81.66 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.219 -0.593 . . . . 1.0 110.553 -179.683 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.606 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.3 mt -60.62 -48.92 79.64 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.176 -178.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.67 -25.93 63.21 Favored 'General case' 0 C--N 1.305 -1.349 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.398 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -64.25 -55.16 23.42 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.7 p90 -78.72 -30.26 45.8 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 119.573 -0.851 . . . . 1.0 110.631 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.9 mt -61.2 -49.53 76.77 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.549 -0.46 . . . . 1.0 110.199 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.54 179.411 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.458 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 84.6 mt . . . . . 0 CA--C 1.514 -0.425 0 N-CA-C 110.067 -0.346 . . . . 1.0 110.067 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -120.77 109.38 15.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.317 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.1 mt -95.14 164.05 20.25 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.092 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -86.14 161.39 10.06 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 122.117 1.878 . . . . 1.0 111.993 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -105.53 120.82 42.59 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.093 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.414 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.77 134.58 36.75 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.749 -179.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.414 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.1 Cg_endo -73.08 161.88 42.22 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.223 1.949 . . . . 1.0 112.062 179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 34.6 p -131.57 86.0 2.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.794 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 178' ' ' LEU . 15.7 mp0 -85.3 170.61 12.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -66.84 20.43 0.1 Allowed 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.619 2.212 . . . . 1.0 112.561 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.746 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.6 OUTLIER -69.67 144.13 93.44 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.297 -179.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo . . . . . 0 N--CA 1.496 1.636 0 C-N-CA 121.832 1.688 . . . . 1.0 111.929 -179.57 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.0 m . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 121.065 0.459 . . . . 1.0 110.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 71.0 m -58.48 149.86 24.14 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 m -60.57 -43.76 96.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.191 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.92 -44.26 85.7 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.616 0.722 . . . . 1.0 110.84 -179.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -61.62 -43.17 99.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.497 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -65.56 -44.09 87.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.624 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.94 -43.48 81.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.208 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.2 mt -65.02 -40.47 89.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.415 0 CA-C-O 122.059 0.933 . . . . 1.0 109.59 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -60.71 -44.77 96.18 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.517 -0.74 . . . . 1.0 110.403 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.04 -43.79 91.21 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.481 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.93 -37.15 76.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.47 ' O ' ' OG1' ' A' ' 17' ' ' THR . 12.3 m -57.06 -50.71 71.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.607 0.718 . . . . 1.0 109.147 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 26.2 ttpt -64.24 -41.52 96.95 Favored 'General case' 0 C--O 1.22 -0.481 0 C-N-CA 120.112 -0.635 . . . . 1.0 109.455 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -51.92 -44.41 63.83 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.913 -0.492 . . . . 1.0 110.592 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 14' ' ' THR . 35.0 p -64.81 -38.27 90.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.768 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.04 -38.76 89.19 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.049 -0.66 . . . . 1.0 110.404 178.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 68.8 mm-40 -67.02 -39.92 87.13 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.614 -179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.453 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 38.9 t0 -58.42 -41.38 84.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.788 179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 23' ' ' LYS . 51.8 mttt -65.63 -40.45 92.57 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.1 12.57 0.69 Allowed 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.546 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 21' ' ' LYS . 66.9 mmtt 64.68 29.08 13.04 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 123.817 0.698 . . . . 1.0 110.859 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -100.77 67.03 1.23 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.302 0.572 . . . . 1.0 109.865 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.627 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.0 m-85 -56.47 -43.24 79.42 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.534 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -59.18 -53.51 57.51 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 120.491 -0.484 . . . . 1.0 111.202 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.41 -46.21 80.92 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 1.0 110.302 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.2 84.39 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.212 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.549 HD21 ' HZ3' ' A' ' 71' ' ' LYS . 41.7 tp -58.73 -47.42 84.66 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.311 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -58.03 -42.86 86.24 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.169 -0.612 . . . . 1.0 110.625 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 72.7 mt -67.73 -39.02 84.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.798 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -59.48 -48.99 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.922 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.42 HE22 ' NZ ' ' A' ' 71' ' ' LYS . 87.6 mt-30 -62.57 -44.18 96.96 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.628 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -61.28 -49.43 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -48.55 70.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.729 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG21 ' HG ' ' A' ' 64' ' ' LEU . 36.4 t -55.0 -44.57 74.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -55.17 -49.34 72.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.475 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -62.84 -39.25 93.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.61 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 20.7 m-85 -60.98 -50.54 72.97 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 121.5 0.667 . . . . 1.0 110.697 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.86 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 57.9 mt -62.73 -41.06 98.99 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.507 -0.769 . . . . 1.0 109.713 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.629 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.2 t60 -62.76 -34.33 77.0 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.18 0.514 . . . . 1.0 110.96 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.53 -46.8 78.17 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.669 0.747 . . . . 1.0 112.575 -178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.1 pt -63.14 -34.01 64.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 O-C-N 121.675 -0.64 . . . . 1.0 111.952 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.86 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.0 mtpt -84.59 -47.34 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.619 0.6 . . . . 1.0 112.619 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.629 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 80.0 m-85 -90.55 -18.34 25.42 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.012 -178.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 71.4 mm-40 -120.11 118.94 31.88 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.387 0.613 . . . . 1.0 109.595 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -70.74 146.12 50.04 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.719 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 90.5 m-70 -155.78 -164.19 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.626 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 52' ' ' ALA . 2.3 m -96.3 147.12 24.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 1.0 110.998 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -47.67 -35.94 10.32 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 116.333 -0.394 . . . . 1.0 109.991 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.96 -38.46 91.03 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -64.89 -56.65 12.05 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.156 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -46.76 -54.43 9.76 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.288 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -53.13 -41.11 64.72 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.568 . . . . 1.0 109.589 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.8 t -62.51 -44.25 96.82 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.114 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.59 -44.61 86.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.358 -178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -63.02 -38.71 92.3 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.897 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.679 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.98 -50.9 44.93 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.758 0.79 . . . . 1.0 110.502 179.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -65.38 -37.66 87.66 Favored 'General case' 0 C--N 1.315 -0.905 0 O-C-N 121.716 -0.615 . . . . 1.0 110.455 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 13.2 m -55.07 -50.33 69.42 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.886 -0.597 . . . . 1.0 109.971 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 58' ' ' ALA . 1.1 p -63.13 -29.88 48.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.552 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -70.0 -46.89 64.16 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.349 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.8 m-85 -62.33 -48.5 79.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.557 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.591 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.3 mt -60.04 -51.08 71.19 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.015 -0.674 . . . . 1.0 110.274 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -48.46 -46.56 38.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' NH1' ' O ' ' B' ' 174' ' ' PRO . 31.9 mmm-85 -60.88 -44.59 96.88 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.19 -0.604 . . . . 1.0 109.875 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.25 -34.19 74.74 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.373 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.35 -55.55 15.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.381 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 10.4 ptmm? -60.11 -37.18 79.23 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.491 -0.483 . . . . 1.0 110.165 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.592 ' O ' HD12 ' A' ' 74' ' ' LEU . 20.7 mt -60.85 -48.41 81.96 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.376 -179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.549 ' HZ3' HD21 ' A' ' 29' ' ' LEU . 12.6 ttmm -70.93 -23.38 62.24 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.903 -1.044 . . . . 1.0 110.451 178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -67.25 -57.39 6.77 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 112.887 0.699 . . . . 1.0 112.887 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.627 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.6 p90 -75.72 -29.58 58.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.323 -0.853 . . . . 1.0 109.915 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 70' ' ' LEU . 16.1 mt -61.04 -48.18 82.98 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 . . . . . 0 C--N 1.331 -0.222 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 179.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 65.1 mt . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 120.738 0.304 . . . . 1.0 110.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 40.8 tp10 -128.81 112.46 14.18 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.149 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.01 164.21 15.44 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.116 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -82.69 163.59 16.32 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.326 2.017 . . . . 1.0 112.149 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -106.34 126.47 52.27 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 121.114 0.483 . . . . 1.0 110.286 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.457 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -51.42 136.27 32.05 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.804 -179.267 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.484 ' O ' ' NH1' ' A' ' 66' ' ' ARG . 59.4 Cg_endo -73.84 140.45 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.253 1.969 . . . . 1.0 111.956 179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 90.3 p -107.78 85.32 2.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.997 0.427 . . . . 1.0 110.217 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -87.02 154.69 55.23 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.574 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -71.36 55.64 2.01 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.485 2.123 . . . . 1.0 111.428 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.65 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.3 OUTLIER -105.65 147.5 34.79 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.151 -179.363 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' B' ' 178' ' ' LEU . 76.5 Cg_exo . . . . . 0 C--N 1.308 -1.605 0 C-N-CA 122.452 2.101 . . . . 1.0 112.38 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.1 m . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 121.372 0.606 . . . . 1.0 110.671 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.1 m -61.35 158.68 13.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.199 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.4 m -61.66 -44.04 97.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.296 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.59 -46.53 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.466 0.65 . . . . 1.0 110.772 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.27 -44.9 88.61 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.501 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -63.67 -43.26 97.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.204 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.21 -44.29 79.38 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.987 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.8 -42.31 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 122.181 0.991 . . . . 1.0 109.672 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -59.86 -48.69 80.66 Favored 'General case' 0 C--N 1.308 -1.231 0 O-C-N 121.392 -0.818 . . . . 1.0 111.029 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.3 mt -63.05 -43.45 98.61 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.012 -0.54 . . . . 1.0 111.019 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.517 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 p -67.8 -39.64 82.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 17' ' ' THR . 46.8 m -56.47 -50.84 70.54 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.743 0.783 . . . . 1.0 109.415 -179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.27 -40.38 93.88 Favored 'General case' 0 C--N 1.308 -1.229 0 C-N-CA 119.442 -0.903 . . . . 1.0 109.237 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 13' ' ' VAL . . . -52.3 -42.26 63.62 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.236 -0.586 . . . . 1.0 110.729 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 14' ' ' THR . 70.3 p -66.56 -40.16 88.88 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.626 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -62.71 -41.21 99.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.674 0.75 . . . . 1.0 110.021 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -65.8 -41.76 91.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.165 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -58.7 -41.63 86.71 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.927 -0.578 . . . . 1.0 109.669 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 23' ' ' LYS . 22.7 mttt -66.26 -38.97 89.08 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.986 -0.552 . . . . 1.0 109.907 179.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 11.43 0.79 Allowed 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.514 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.445 ' H ' ' C ' ' A' ' 21' ' ' LYS . 16.0 mmmt 65.99 29.57 10.09 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.587 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -103.18 71.2 1.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.464 0.649 . . . . 1.0 110.013 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.3 m-85 -57.82 -43.72 85.94 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.29 -53.1 61.66 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.351 -0.54 . . . . 1.0 112.196 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -65.04 -44.87 87.68 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 1.0 110.354 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.85 -42.33 89.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.687 -0.688 . . . . 1.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 71' ' ' LYS . 1.1 tt -61.65 -44.86 96.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.924 0.393 . . . . 1.0 110.976 -178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -60.87 -43.61 98.16 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 119.618 -0.833 . . . . 1.0 110.307 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.32 -39.93 93.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.744 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.92 -46.91 87.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.021 0.439 . . . . 1.0 110.664 -179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.43 -42.22 98.71 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.81 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -64.39 -50.89 65.87 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.5 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.424 ' HB1' ' HB ' ' A' ' 13' ' ' VAL . . . -51.43 -48.42 62.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.49 HG21 ' HG ' ' A' ' 64' ' ' LEU . 41.8 t -58.2 -43.28 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.491 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -55.27 -49.76 71.25 Favored 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 120.492 -0.483 . . . . 1.0 110.624 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -63.17 -38.05 89.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.765 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -61.53 -48.05 82.81 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 121.437 0.636 . . . . 1.0 110.78 -179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.7 mt -62.8 -39.02 92.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.566 0.698 . . . . 1.0 109.504 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.647 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 31.5 t60 -64.15 -35.41 80.68 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.503 179.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.6 -46.42 79.42 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.861 0.839 . . . . 1.0 112.255 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.6 pt -64.67 -34.52 70.49 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 O-C-N 121.071 -1.018 . . . . 1.0 111.432 179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -83.78 -47.38 11.21 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.438 0.903 . . . . 1.0 113.438 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.647 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 43.9 m-85 -91.35 -16.24 27.77 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.65 -0.704 . . . . 1.0 111.726 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 93.2 mt-10 -120.58 142.91 48.94 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.327 -0.62 . . . . 1.0 109.327 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -91.35 146.69 23.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.404 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 52.3 m-70 -158.11 -172.02 3.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.433 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.2 m -89.25 146.39 24.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.728 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -47.85 -35.9 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 1.0 110.413 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -67.12 -40.1 86.77 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.363 0.601 . . . . 1.0 110.368 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.935 ' HB1' HD12 ' B' ' 168' ' ' ILE . . . -65.34 -44.56 87.36 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.567 -0.742 . . . . 1.0 109.772 178.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? -57.88 -52.66 64.56 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.432 -0.507 . . . . 1.0 110.618 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.03 -37.5 64.18 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 120.337 -0.545 . . . . 1.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.23 -43.37 98.97 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 119.806 -0.757 . . . . 1.0 110.571 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.525 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.9 mm -66.19 -47.0 86.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.992 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -59.98 -57.94 10.69 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.419 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.53 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.97 -48.39 64.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.947 0.879 . . . . 1.0 110.113 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -66.53 -39.63 88.72 Favored 'General case' 0 C--N 1.31 -1.132 0 C-N-CA 119.951 -0.7 . . . . 1.0 111.179 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.7 m -55.63 -49.32 73.16 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.423 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.11 -29.91 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.462 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -69.99 -46.87 64.26 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.299 -0.561 . . . . 1.0 110.445 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.517 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 31.0 m-85 -61.21 -48.49 81.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.271 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -60.42 -48.75 80.42 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 119.82 -0.752 . . . . 1.0 110.006 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -50.09 -45.21 52.44 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 120.187 -0.605 . . . . 1.0 110.077 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.547 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 14.3 mmm180 -60.92 -45.12 95.94 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.601 -0.84 . . . . 1.0 109.984 179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -34.05 75.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.744 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.38 -54.46 28.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.296 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.547 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 7.3 pttm -60.8 -35.26 76.05 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 120.042 -0.663 . . . . 1.0 109.768 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HB3' HD12 ' A' ' 29' ' ' LEU . 19.0 mt -60.29 -46.87 88.34 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-O 121.377 0.608 . . . . 1.0 110.039 -178.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.5 ttpt -70.88 -24.67 62.54 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.742 -1.117 . . . . 1.0 111.236 178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -66.68 -55.62 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.283 0.564 . . . . 1.0 112.507 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.592 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 10.3 p90 -77.97 -29.35 49.69 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 119.229 -0.989 . . . . 1.0 109.875 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.447 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.6 mt -58.85 -47.92 83.17 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 119.991 -0.684 . . . . 1.0 109.421 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 . . . . . 0 C--N 1.322 -0.599 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.238 179.269 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.935 HD12 ' HB1' ' A' ' 52' ' ' ALA . 14.7 mt . . . . . 0 CA--C 1.512 -0.483 0 CA-C-O 121.014 0.435 . . . . 1.0 110.145 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -117.16 127.01 53.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.674 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 12.5 mt -123.98 151.61 65.35 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.404 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -68.98 164.6 33.12 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.122 1.881 . . . . 1.0 112.071 178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -107.91 120.21 41.64 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -50.39 130.1 25.36 Favored Pre-proline 0 CA--C 1.544 0.726 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.648 -178.759 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.479 ' O ' ' CZ ' ' A' ' 66' ' ' ARG . 72.0 Cg_endo -72.2 152.3 55.89 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.063 1.842 . . . . 1.0 112.155 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 95.5 p -119.55 85.82 2.44 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -81.57 169.25 19.57 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.716 -0.22 . . . . 1.0 111.029 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -68.12 70.13 0.9 Allowed 'Trans proline' 0 N--CA 1.49 1.294 0 C-N-CA 121.506 1.471 . . . . 1.0 112.074 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.688 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.5 OUTLIER -141.63 149.09 52.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.836 -0.431 . . . . 1.0 109.836 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo . . . . . 0 N--CA 1.494 1.52 0 C-N-CA 121.747 1.631 . . . . 1.0 112.006 -179.523 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 N--CA 1.465 0.29 0 CA-C-O 121.141 0.496 . . . . 1.0 110.634 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 m -72.04 159.05 34.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.433 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.85 -46.49 89.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.437 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -64.72 -42.72 95.03 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.198 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -54.22 -51.69 63.63 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 120.159 -0.616 . . . . 1.0 109.644 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -57.82 -40.13 79.28 Favored 'General case' 0 C--N 1.315 -0.924 0 C-N-CA 119.808 -0.757 . . . . 1.0 109.21 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.61 -48.36 77.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 119.947 -0.701 . . . . 1.0 110.485 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.558 ' O ' HG12 ' A' ' 13' ' ' VAL . 91.3 mt -65.35 -42.12 92.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 122.327 1.061 . . . . 1.0 109.707 179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.58 -46.68 88.22 Favored 'General case' 0 C--N 1.307 -1.264 0 O-C-N 120.959 -1.088 . . . . 1.0 110.717 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.5 mt -64.43 -42.56 95.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.379 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.8 p -67.5 -38.9 81.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 120.346 -0.542 . . . . 1.0 110.311 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' OG1' ' A' ' 17' ' ' THR . 8.3 m -57.37 -50.79 71.86 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 121.996 0.903 . . . . 1.0 109.057 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -61.43 -41.58 97.4 Favored 'General case' 0 C--N 1.314 -0.969 0 C-N-CA 119.545 -0.862 . . . . 1.0 109.286 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -53.14 -44.16 67.54 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.282 -0.567 . . . . 1.0 111.333 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 14' ' ' THR . 32.5 p -63.75 -41.27 98.05 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.604 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -61.61 -40.26 94.18 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.032 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -64.13 -39.95 95.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.824 -0.626 . . . . 1.0 109.92 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.05 -40.22 84.44 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.575 -0.739 . . . . 1.0 109.628 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 23' ' ' LYS . 60.5 mttt -66.01 -39.94 90.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 1.0 109.773 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.62 10.69 1.26 Allowed 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.983 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' A' ' 21' ' ' LYS . 26.4 mmtp 66.1 30.11 9.6 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.926 0.766 . . . . 1.0 111.158 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -102.28 69.49 1.14 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.417 0.627 . . . . 1.0 109.963 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.604 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -58.0 -39.93 79.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.316 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -62.96 -52.3 63.54 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.305 -0.558 . . . . 1.0 111.244 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.9 tp10 -66.09 -43.29 87.74 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.208 1.004 . . . . 1.0 109.544 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.84 -42.05 99.59 Favored 'General case' 0 C--N 1.31 -1.11 0 C-N-CA 119.552 -0.859 . . . . 1.0 110.424 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 31.8 tp -59.47 -47.95 83.53 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 112.621 0.6 . . . . 1.0 112.621 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 13.5 ptm180 -61.35 -42.6 98.95 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.595 -0.842 . . . . 1.0 109.778 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 75.6 mt -64.23 -38.92 92.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.265 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -59.41 -47.13 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.296 0.569 . . . . 1.0 110.578 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.17 -40.94 98.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.425 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -64.43 -50.66 66.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.597 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.27 -48.32 62.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.06 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.616 HG21 ' HG ' ' A' ' 64' ' ' LEU . 42.0 t -57.64 -43.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.482 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.63 -49.41 70.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.114 0.483 . . . . 1.0 110.761 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -64.26 -38.55 91.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.108 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.602 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.5 m-85 -61.69 -49.2 77.46 Favored 'General case' 0 C--O 1.247 0.973 0 CA-C-O 121.728 0.775 . . . . 1.0 110.478 -179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.813 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 73.9 mt -63.0 -40.23 97.16 Favored 'General case' 0 C--O 1.212 -0.877 0 CA-C-N 115.487 -0.779 . . . . 1.0 109.415 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.633 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 21.8 t60 -63.72 -34.77 78.62 Favored 'General case' 0 C--N 1.316 -0.866 0 C-N-CA 120.454 -0.498 . . . . 1.0 110.993 178.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.533 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.4 -46.77 78.71 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.747 0.784 . . . . 1.0 112.579 -179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.511 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 6.2 pt -62.68 -33.03 57.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 C-N-CA 119.494 -0.883 . . . . 1.0 111.631 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.813 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 14.4 mtpt -84.2 -44.86 13.52 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 112.988 0.736 . . . . 1.0 112.988 179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.633 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 67.7 m-85 -92.01 -15.24 28.17 Favored 'General case' 0 CA--C 1.527 0.089 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.446 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 65.8 mm-40 -121.39 135.55 55.06 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.094 -0.706 . . . . 1.0 109.094 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.559 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -84.63 140.34 31.42 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.695 . . . . 1.0 110.643 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.559 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 95.1 m-70 -160.05 154.55 23.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.62 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.9 m -57.48 166.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.253 0.549 . . . . 1.0 111.049 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -59.71 -52.04 67.19 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 119.783 -0.767 . . . . 1.0 109.987 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -51.9 -35.55 45.74 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.62 -0.511 . . . . 1.0 109.62 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.474 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -64.71 -53.77 42.0 Favored 'General case' 0 C--O 1.214 -0.769 0 C-N-CA 120.262 -0.575 . . . . 1.0 109.776 178.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.6 mptp? -54.07 -49.55 68.8 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.484 -0.487 . . . . 1.0 110.171 -179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -54.16 -39.57 66.68 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -62.98 -43.32 99.1 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.858 -0.737 . . . . 1.0 110.254 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.5 mm -68.71 -44.43 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.475 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.0 -37.49 87.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.917 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -70.2 -48.24 57.97 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 122.268 1.033 . . . . 1.0 110.518 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 20.5 mmmt -68.01 -36.94 80.79 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 119.725 -0.79 . . . . 1.0 110.38 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 7.2 m -55.48 -50.24 70.41 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.038 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.6 p -63.76 -29.88 48.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 120.439 -0.504 . . . . 1.0 110.642 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.41 -47.45 64.11 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.373 -0.531 . . . . 1.0 110.857 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.6 m-85 -62.25 -48.11 81.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.677 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.616 ' HG ' HG21 ' A' ' 36' ' ' VAL . 10.0 mt -60.15 -49.03 79.26 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.67 -0.812 . . . . 1.0 110.094 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -49.71 -45.44 49.06 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 120.242 -0.583 . . . . 1.0 110.062 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.0 mmm180 -61.01 -44.57 97.22 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 119.857 -0.737 . . . . 1.0 109.69 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.414 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -61.29 -36.36 79.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.377 -179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.54 -54.75 27.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.435 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.01 -36.38 79.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 119.925 -0.71 . . . . 1.0 109.963 -179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.7 mt -60.56 -48.16 83.0 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.121 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -70.41 -25.17 63.1 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 114.845 -1.07 . . . . 1.0 110.811 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -65.55 -56.04 14.48 Favored 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.828 0.823 . . . . 1.0 112.873 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.0 p90 -78.26 -29.48 48.09 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 119.525 -0.87 . . . . 1.0 109.887 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.504 HD11 ' CB ' ' A' ' 25' ' ' TYR . 14.7 mt -59.29 -48.68 80.71 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 119.543 -0.863 . . . . 1.0 109.764 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.497 -0.774 . . . . 1.0 109.93 179.646 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 93.1 mt . . . . . 0 CA--C 1.512 -0.484 0 N-CA-C 110.148 -0.316 . . . . 1.0 110.148 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -120.52 103.59 9.29 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.282 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 2.2 mp -97.23 164.53 17.56 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.368 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -83.65 167.66 13.06 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.058 1.838 . . . . 1.0 111.898 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -111.94 136.47 51.22 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.435 0.636 . . . . 1.0 110.359 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.44 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -63.28 135.69 96.36 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.088 -0.96 . . . . 1.0 110.59 -178.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.405 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo -71.77 153.74 59.06 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.103 1.869 . . . . 1.0 112.114 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 19.1 t -128.79 85.31 2.31 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.049 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.573 ' C ' ' H ' ' B' ' 178' ' ' LEU . 21.9 mt-10 -87.35 175.62 4.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.287 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -65.41 31.06 0.1 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.363 2.042 . . . . 1.0 111.949 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.573 ' H ' ' C ' ' B' ' 176' ' ' GLU . 17.0 mt -43.5 151.94 0.44 Allowed Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.678 -0.692 . . . . 1.0 110.871 -178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 N--CA 1.496 1.658 0 C-N-CA 121.262 1.308 . . . . 1.0 112.194 -179.016 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 120.96 0.409 . . . . 1.0 111.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -64.5 154.41 36.04 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.414 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.04 -41.89 93.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 1.0 109.959 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.25 -44.41 88.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.35 0.595 . . . . 1.0 110.867 -179.696 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.71 -39.18 90.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.608 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -66.91 -44.0 81.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.579 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.664 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.82 -44.86 86.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.021 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.6 mt -63.22 -41.4 92.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.922 0.868 . . . . 1.0 109.79 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -59.8 -45.04 93.58 Favored 'General case' 0 C--N 1.31 -1.145 0 O-C-N 121.26 -0.9 . . . . 1.0 110.743 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.56 -42.79 91.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.295 -0.412 . . . . 1.0 111.644 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.5 p -67.59 -38.95 81.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.588 -0.445 . . . . 1.0 110.411 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.468 ' O ' ' OG1' ' A' ' 17' ' ' THR . 72.4 m -57.77 -48.47 79.58 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 35.1 ttmt -63.32 -42.1 98.97 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.738 -0.665 . . . . 1.0 109.329 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.46 65.22 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.528 -0.469 . . . . 1.0 111.072 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 14' ' ' THR . 39.1 p -65.66 -40.31 92.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.95 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.1 pt-20 -63.78 -40.56 96.96 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.865 -0.734 . . . . 1.0 110.329 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.16 -38.99 89.42 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.872 -0.603 . . . . 1.0 109.812 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 47.2 t0 -59.0 -40.57 85.3 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.891 179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' C ' ' H ' ' A' ' 23' ' ' LYS . 53.2 mttt -65.62 -40.15 92.27 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.582 -0.447 . . . . 1.0 109.828 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.06 10.99 0.78 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.678 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' H ' ' C ' ' A' ' 21' ' ' LYS . 70.8 mmtt 66.45 23.21 10.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.75 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -94.49 67.82 3.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.33 0.586 . . . . 1.0 110.118 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.603 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.88 -41.2 82.01 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.471 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -60.32 -53.17 60.79 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 120.339 -0.544 . . . . 1.0 111.329 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.54 -45.78 82.11 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.435 -0.506 . . . . 1.0 109.96 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.9 -45.55 82.53 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.373 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.88 -46.36 88.0 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.99 -0.284 . . . . 1.0 111.12 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -59.11 -42.82 91.46 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.94 -0.704 . . . . 1.0 110.472 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 61.2 mt -67.17 -39.17 86.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.768 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -60.04 -49.49 77.44 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.085 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -63.11 -42.48 99.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.657 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -63.37 -50.32 70.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.53 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.05 -46.76 72.0 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.758 -179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.497 HG21 ' HG ' ' A' ' 64' ' ' LEU . 33.8 t -57.28 -44.0 83.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.073 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -54.33 -49.22 70.24 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.466 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.74 -38.35 90.18 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.424 -0.511 . . . . 1.0 110.755 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.664 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.7 m-85 -61.35 -50.01 74.63 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.648 -0.421 . . . . 1.0 110.673 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.794 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 58.6 mt -63.17 -41.03 99.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.755 -0.657 . . . . 1.0 109.997 -179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.637 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 17.9 t-80 -66.19 -30.54 71.02 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.137 0.494 . . . . 1.0 111.035 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -69.71 -48.28 60.14 Favored 'General case' 0 C--N 1.314 -0.952 0 O-C-N 122.091 -0.381 . . . . 1.0 111.774 -178.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.423 HG12 ' H ' ' A' ' 43' ' ' ILE . 9.3 pt -59.53 -31.37 46.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 C-N-CA 120.353 -0.539 . . . . 1.0 112.2 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.794 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 9.2 mtpt -84.58 -41.96 15.92 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.885 0.698 . . . . 1.0 112.885 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 33.0 m-85 -88.06 -17.86 30.18 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.534 -177.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.517 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 73.1 mm-40 -85.99 -123.3 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 120.412 -0.515 . . . . 1.0 110.857 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.551 ' C ' ' HZ3' ' A' ' 53' ' ' LYS . . . 174.49 15.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.604 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.651 ' N ' ' NZ ' ' A' ' 53' ' ' LYS . 87.3 m-70 -47.73 151.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.304 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 m -59.18 169.64 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.977 0.418 . . . . 1.0 110.726 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -63.4 -34.09 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.556 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -63.84 -46.25 85.87 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-O 121.382 0.61 . . . . 1.0 110.462 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.53 -47.96 79.5 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.781 -0.645 . . . . 1.0 109.653 178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.651 ' NZ ' ' N ' ' A' ' 48' ' ' HIS . 1.5 mptt -50.75 -50.3 56.03 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.16 -0.616 . . . . 1.0 110.546 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -54.38 -39.71 67.47 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 120.496 -0.482 . . . . 1.0 109.814 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -60.87 -43.47 98.35 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 119.842 -0.743 . . . . 1.0 110.524 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 21.3 mm -66.42 -44.76 90.48 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.234 -178.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -59.72 -57.99 10.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 109.914 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.715 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -51.52 -49.8 61.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.978 0.894 . . . . 1.0 110.193 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' NZ ' ' O ' ' B' ' 171' ' ' PRO . 20.1 mmmt -64.5 -40.31 95.41 Favored 'General case' 0 C--N 1.309 -1.159 0 O-C-N 121.319 -0.863 . . . . 1.0 111.182 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.473 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 22.5 m -54.01 -43.94 70.5 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.162 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.336 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -69.53 -47.96 62.01 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.228 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.93 -48.67 79.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.41 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.5 mt -59.24 -48.82 80.19 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.739 -0.784 . . . . 1.0 110.118 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -49.8 -45.18 49.65 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.781 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 20' ' ' ASP . 33.9 mmm-85 -61.46 -44.46 97.07 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.948 178.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.485 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.71 -55.06 22.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.303 -179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -61.77 -37.17 83.32 Favored 'General case' 0 C--O 1.242 0.675 0 C-N-CA 120.312 -0.555 . . . . 1.0 110.454 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 74' ' ' LEU . 19.3 mt -60.82 -49.16 78.6 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.185 0.517 . . . . 1.0 110.554 -179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -70.81 -22.39 62.35 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.947 -1.024 . . . . 1.0 110.793 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.84 -57.02 6.97 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.568 0.699 . . . . 1.0 112.694 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.2 p90 -76.1 -30.01 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 119.497 -0.881 . . . . 1.0 110.103 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.512 HD11 ' CB ' ' A' ' 25' ' ' TYR . 18.1 mt -60.14 -47.85 84.2 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 . . . . . 0 C--N 1.323 -0.572 0 C-N-CA 120.124 -0.631 . . . . 1.0 109.415 179.213 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 CA--C 1.504 -0.806 0 CA-C-O 121.588 0.709 . . . . 1.0 110.662 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -133.15 118.3 18.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.794 -1.094 . . . . 1.0 110.924 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 17.8 mt -129.94 157.6 76.4 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.172 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . 0.432 ' O ' ' NZ ' ' A' ' 59' ' ' LYS . 41.7 Cg_endo -93.53 -164.43 0.11 Allowed 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 122.258 1.972 . . . . 1.0 111.523 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -134.86 139.89 45.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.325 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -68.81 131.21 91.22 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.696 -179.413 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.464 ' HD3' HG22 ' A' ' 17' ' ' THR . 70.8 Cg_endo -75.61 92.94 1.0 Allowed 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.074 1.85 . . . . 1.0 111.793 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 96.1 p -75.98 83.79 2.87 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 120.586 -0.446 . . . . 1.0 109.945 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -88.21 172.59 7.5 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.192 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -72.93 46.64 1.12 Allowed 'Trans proline' 0 N--CA 1.504 2.113 0 C-N-CA 122.162 1.908 . . . . 1.0 111.747 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.428 ' CD1' ' H ' ' B' ' 178' ' ' LEU . 0.2 OUTLIER -86.49 148.89 47.78 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.894 -0.593 . . . . 1.0 110.112 -179.152 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 48.5 Cg_endo . . . . . 0 C--N 1.303 -1.862 0 C-N-CA 122.11 1.873 . . . . 1.0 111.776 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.462 0.134 0 CA-C-O 120.947 0.403 . . . . 1.0 110.6 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 m -66.04 151.76 46.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.414 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -60.25 -44.04 95.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.33 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.42 -44.6 86.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.372 0.606 . . . . 1.0 110.618 -179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -59.15 -46.4 88.48 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.245 -0.582 . . . . 1.0 110.704 -178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -63.69 -42.94 97.93 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.482 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.603 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -55.37 -45.44 76.53 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.336 0.588 . . . . 1.0 109.799 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.2 mt -63.95 -41.08 91.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.864 0.84 . . . . 1.0 109.8 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -59.95 -47.4 85.95 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.711 -0.796 . . . . 1.0 111.091 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.16 -43.89 97.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.328 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.9 p -68.26 -37.59 78.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.334 -0.546 . . . . 1.0 110.553 -179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.8 m -57.33 -51.01 71.1 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 121.494 0.664 . . . . 1.0 109.423 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -62.48 -40.87 98.08 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.54 -0.864 . . . . 1.0 109.449 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 -43.39 63.06 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.733 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.437 HG22 ' HD3' ' B' ' 174' ' ' PRO . 47.3 p -66.11 -39.45 89.93 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.778 -0.647 . . . . 1.0 110.425 -179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -40.84 96.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.901 -0.719 . . . . 1.0 110.126 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -64.76 -39.72 94.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.122 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' O ' ' OE1' ' B' ' 176' ' ' GLU . 48.0 t0 -59.67 -40.46 87.86 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.682 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 23' ' ' LYS . 55.1 mttt -65.64 -39.66 91.69 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 109.782 179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 10.02 1.28 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.609 -0.723 . . . . 1.0 110.582 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.0 mmtp 65.95 32.35 8.57 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.979 0.799 . . . . 1.0 110.457 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -104.09 69.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.438 0.637 . . . . 1.0 109.865 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.6 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -57.39 -43.81 83.98 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.312 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -58.64 -53.22 60.78 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.497 -0.481 . . . . 1.0 111.698 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.0 -45.63 77.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.972 0.415 . . . . 1.0 110.133 -179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.0 -44.18 82.51 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.632 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' LYS . 2.9 tt -61.08 -46.84 89.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.142 0.496 . . . . 1.0 111.83 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.737 ' NH1' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.96 -40.84 94.87 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 119.778 -0.769 . . . . 1.0 109.828 -179.451 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.737 HD21 ' NH1' ' A' ' 30' ' ' ARG . 81.6 mt -65.4 -40.21 93.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.858 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.64 -46.48 88.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.923 0.392 . . . . 1.0 110.563 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' NE2' ' CD2' ' A' ' 29' ' ' LEU . 87.3 mt-30 -63.69 -42.39 98.02 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.668 -0.413 . . . . 1.0 110.821 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -64.06 -51.77 62.5 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.353 0.597 . . . . 1.0 110.747 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.84 75.63 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.779 -179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.428 HG21 ' HG ' ' A' ' 64' ' ' LEU . 29.4 t -58.45 -43.55 86.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -54.0 -49.53 68.65 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.388 -0.525 . . . . 1.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -62.4 -38.97 91.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.884 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.603 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 12.4 m-85 -60.75 -49.24 78.3 Favored 'General case' 0 C--O 1.244 0.767 0 CA-C-O 121.598 0.714 . . . . 1.0 110.684 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 66.2 mt -62.74 -40.79 98.33 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.632 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.611 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 17.9 t60 -62.56 -32.8 73.83 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.231 -0.587 . . . . 1.0 110.736 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -67.01 -47.15 72.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.697 0.761 . . . . 1.0 112.597 -178.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 ' H ' HG12 ' A' ' 43' ' ' ILE . 8.4 pt -62.56 -34.43 64.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.148 0 C-N-CA 119.493 -0.883 . . . . 1.0 111.398 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.703 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 12.2 mtmt -84.03 -45.57 12.95 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.173 0.805 . . . . 1.0 113.173 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 83.3 m-85 -93.75 -13.42 27.44 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.769 -0.65 . . . . 1.0 111.552 -177.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 42' ' ' ALA . 42.6 mm-40 -123.49 146.03 48.39 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -91.53 151.63 20.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.51 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 82.2 m-70 -161.78 -174.45 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.705 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 m -81.62 172.56 13.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.354 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -69.0 -49.22 59.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.419 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -25.1 67.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.448 0.642 . . . . 1.0 109.728 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -69.56 -49.76 51.16 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.163 -0.926 . . . . 1.0 109.721 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -47.81 81.65 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.851 -0.339 . . . . 1.0 110.633 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -60.42 -33.69 72.88 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.409 -0.516 . . . . 1.0 110.06 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.0 t -63.82 -42.15 97.71 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.222 -0.591 . . . . 1.0 110.526 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 52' ' ' ALA . 10.7 mm -68.1 -45.93 82.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-O 121.249 0.547 . . . . 1.0 110.523 -178.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -60.25 -57.96 10.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.128 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.27 -50.47 64.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.363 0.601 . . . . 1.0 110.561 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.567 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.2 mmmm -62.27 -42.89 99.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.948 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -52.67 -39.85 62.31 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.8 t -64.8 -47.72 87.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.12 -0.491 . . . . 1.0 109.856 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -56.15 -46.6 79.21 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.957 0.408 . . . . 1.0 110.448 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.567 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 26.4 m-85 -63.19 -50.5 70.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.602 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -60.59 -47.74 84.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.712 -0.795 . . . . 1.0 110.431 -179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -52.34 -45.04 65.52 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.173 -0.611 . . . . 1.0 110.072 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HG3' HG11 ' B' ' 173' ' ' VAL . 17.5 mmm180 -60.34 -44.41 95.54 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 119.785 -0.766 . . . . 1.0 109.43 179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.63 80.53 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.9 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -54.68 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.444 -0.344 . . . . 1.0 111.318 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -61.44 -34.78 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.769 -0.772 . . . . 1.0 109.918 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' HB3' HD12 ' A' ' 29' ' ' LEU . 20.9 mt -59.68 -47.56 85.13 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.143 0.497 . . . . 1.0 109.996 -179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' LEU . 25.5 ttpt -69.42 -25.67 64.24 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.795 -1.093 . . . . 1.0 111.176 178.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -66.4 -55.61 14.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.656 0.613 . . . . 1.0 112.656 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.6 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 6.8 p90 -77.78 -30.45 51.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 119.157 -1.017 . . . . 1.0 109.867 -179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.466 HD11 ' CB ' ' A' ' 25' ' ' TYR . 13.7 mt -58.34 -48.32 80.93 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 119.83 -0.748 . . . . 1.0 109.821 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 . . . . . 0 C--N 1.316 -0.848 0 CA-C-N 115.932 -0.577 . . . . 1.0 110.114 179.248 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 3.8 mm . . . . . 0 CA--C 1.501 -0.906 0 CA-C-O 121.627 0.727 . . . . 1.0 110.158 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -132.72 117.29 17.65 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.325 -1.307 . . . . 1.0 110.777 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 13.3 mt -120.5 161.3 40.11 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-N 116.417 -0.356 . . . . 1.0 111.064 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -92.33 -177.49 0.85 Allowed 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.212 1.942 . . . . 1.0 111.719 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -122.85 137.94 54.79 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.063 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.403 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -67.99 137.51 92.23 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.745 -179.191 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.437 ' HD3' HG22 ' A' ' 17' ' ' THR . 60.0 Cg_endo -71.12 145.41 49.31 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 121.8 1.667 . . . . 1.0 112.02 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 17.9 t -106.97 85.29 2.12 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 20' ' ' ASP . 19.2 mt-10 -86.77 168.51 18.01 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.714 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -89.02 49.32 1.32 Allowed 'Trans proline' 0 N--CA 1.502 1.997 0 C-N-CA 122.538 2.159 . . . . 1.0 110.965 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . . . . . . . . . 34.0 mt -43.31 140.07 2.27 Favored Pre-proline 0 C--N 1.324 -0.501 0 C-N-CA 120.431 -0.508 . . . . 1.0 111.018 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.498 1.775 0 C-N-CA 121.51 1.473 . . . . 1.0 112.272 -179.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 121.312 0.577 . . . . 1.0 110.336 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.8 p -70.75 161.91 30.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.411 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -61.12 -41.93 97.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.003 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.577 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.68 -44.32 86.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.626 0.727 . . . . 1.0 111.032 -179.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.67 -46.05 90.22 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.694 -178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 38' ' ' TYR . 45.6 tttm -64.08 -42.19 97.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.509 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.26 82.2 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.041 0.448 . . . . 1.0 110.035 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.45 -42.18 95.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.326 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -61.73 -44.46 96.86 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.205 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -63.7 -44.72 92.81 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.762 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG21 ' CE1' ' A' ' 63' ' ' TYR . 8.3 p -69.97 -35.52 64.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.171 -0.612 . . . . 1.0 110.794 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 15.5 m -56.95 -50.62 72.05 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-O 121.982 0.896 . . . . 1.0 109.38 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 ttpt -63.56 -40.26 96.53 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 119.539 -0.864 . . . . 1.0 109.283 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.6 -42.47 64.59 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.178 -0.609 . . . . 1.0 111.035 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.476 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.8 p -65.72 -37.21 85.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.272 -179.115 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -39.33 93.31 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 119.766 -0.773 . . . . 1.0 109.595 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 71.4 mm-40 -69.3 -42.44 75.45 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.427 -179.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -56.36 -44.71 80.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.696 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' C ' ' H ' ' A' ' 23' ' ' LYS . 37.9 mtmt -67.34 -36.42 81.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.393 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.87 10.75 1.05 Allowed 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.325 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.7 mmtt 67.96 20.76 9.1 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.36 1.038 . . . . 1.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 2.1 m-20 -95.11 68.56 3.14 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.266 0.555 . . . . 1.0 110.149 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.593 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.6 m-85 -56.88 -43.04 80.85 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.425 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.3 -53.06 61.6 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.499 -0.481 . . . . 1.0 111.136 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 30' ' ' ARG . 6.1 tp10 -65.07 -45.78 83.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 122.224 1.011 . . . . 1.0 109.579 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.9 94.37 Favored 'General case' 0 C--N 1.312 -1.062 0 O-C-N 121.615 -0.678 . . . . 1.0 110.431 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.75 -50.14 75.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 112.569 0.581 . . . . 1.0 112.569 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 11.3 ptm180 -59.58 -40.62 87.98 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 119.646 -0.821 . . . . 1.0 109.883 -177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 30' ' ' ARG . 87.6 mt -64.72 -39.89 94.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.28 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -60.02 -48.56 81.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.169 0.509 . . . . 1.0 110.823 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.37 -44.28 96.84 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.673 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -61.07 -49.57 76.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.123 0.487 . . . . 1.0 110.558 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.3 73.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.8 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.3 t -56.97 -44.83 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.272 -179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -54.88 -48.83 72.48 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.114 0.483 . . . . 1.0 110.412 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.412 ' CE1' ' HD3' ' A' ' 8' ' ' LYS . 44.2 m-85 -63.15 -39.32 94.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.524 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.568 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 19.8 m-85 -61.41 -49.8 75.42 Favored 'General case' 0 C--O 1.241 0.641 0 CA-C-O 121.217 0.532 . . . . 1.0 110.368 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.711 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 81.5 mt -63.54 -42.78 98.4 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.679 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.637 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 20.2 t-80 -64.97 -25.36 67.84 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.167 179.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -74.32 -48.69 26.66 Favored 'General case' 0 C--O 1.208 -1.087 0 N-CA-C 112.095 0.406 . . . . 1.0 112.095 -179.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 ' H ' HG12 ' A' ' 43' ' ' ILE . 6.6 pt -60.66 -32.38 51.58 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 N-CA-C 112.382 0.512 . . . . 1.0 112.382 179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.711 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 24.0 mttm -84.53 -44.19 13.82 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 113.657 0.984 . . . . 1.0 113.657 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.637 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 33.7 m-85 -84.92 -19.18 32.64 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.952 -177.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 71.1 mm-40 -85.87 -118.85 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.552 -0.459 . . . . 1.0 110.908 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 164.75 33.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.205 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' ND1' HD11 ' B' ' 168' ' ' ILE . 95.4 m-70 -54.3 -161.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.893 0.378 . . . . 1.0 110.641 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.2 m -103.69 160.47 14.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 1.0 110.308 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' OE2' ' A' ' 54' ' ' GLU . 15.1 m-20 -53.2 -39.24 63.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.873 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -64.09 -44.96 90.73 Favored 'General case' 0 C--O 1.242 0.702 0 CA-C-O 121.526 0.679 . . . . 1.0 110.353 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.57 ' HB1' HG12 ' B' ' 168' ' ' ILE . . . -64.49 -50.39 67.65 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 115.754 -0.657 . . . . 1.0 109.713 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -52.37 28.71 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.018 -0.673 . . . . 1.0 110.554 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -53.7 -39.02 64.82 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.49 -0.559 . . . . 1.0 109.49 -179.309 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.6 t -61.07 -43.89 98.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 119.794 -0.763 . . . . 1.0 110.283 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.499 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 13.7 mm -66.58 -45.1 89.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.027 0.442 . . . . 1.0 110.589 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -62.3 -37.79 86.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.906 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -68.06 -49.74 59.48 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 122.218 1.009 . . . . 1.0 110.435 178.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' NZ ' ' OE1' ' B' ' 172' ' ' GLU . 23.6 mmmt -67.29 -36.32 81.29 Favored 'General case' 0 C--N 1.31 -1.138 0 O-C-N 121.483 -0.761 . . . . 1.0 110.451 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 19.4 m -55.43 -50.51 69.63 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.7 -0.682 . . . . 1.0 110.009 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.28 -29.73 48.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 C-N-CA 120.651 -0.42 . . . . 1.0 110.693 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -69.14 -47.1 65.96 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.436 -0.505 . . . . 1.0 110.541 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.0 m-85 -61.98 -48.55 79.82 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.1 mt -59.69 -50.17 74.88 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 119.495 -0.882 . . . . 1.0 109.957 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -48.8 -46.81 42.24 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.762 -178.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 21.7 mmm180 -61.49 -44.01 97.85 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 119.681 -0.807 . . . . 1.0 109.677 179.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.9 73.2 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.469 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.43 -54.96 15.77 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.453 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 18.7 ptmt -61.16 -36.94 81.17 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.22 -0.592 . . . . 1.0 110.138 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 74' ' ' LEU . 43.8 mt -60.44 -49.65 76.71 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.522 0.677 . . . . 1.0 110.744 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -70.85 -21.95 62.37 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 114.159 -1.382 . . . . 1.0 111.156 178.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -69.12 -57.17 5.76 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.509 0.671 . . . . 1.0 112.664 -178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.593 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.4 p90 -75.71 -29.29 58.92 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 119.811 -0.756 . . . . 1.0 109.81 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 25' ' ' TYR . 16.6 mt -60.41 -46.93 88.25 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.834 -0.746 . . . . 1.0 109.599 179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.608 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.57 HG12 ' HB1' ' A' ' 52' ' ' ALA . 1.5 mp . . . . . 0 N--CA 1.464 0.266 0 CA-C-O 121.167 0.508 . . . . 1.0 110.311 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -132.22 115.89 16.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.42 -0.809 . . . . 1.0 109.57 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 6.5 mt -126.56 162.53 46.23 Favored Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 116.485 -0.325 . . . . 1.0 111.329 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -95.64 -177.44 0.41 Allowed 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.082 1.855 . . . . 1.0 111.222 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . 0.448 ' OE1' ' NZ ' ' A' ' 59' ' ' LYS . 47.4 tp10 -121.26 124.18 44.0 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.069 0.462 . . . . 1.0 109.982 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.438 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -53.89 135.73 56.62 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.603 -0.726 . . . . 1.0 110.622 -179.066 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.476 ' HD3' HG22 ' A' ' 17' ' ' THR . 61.1 Cg_endo -73.25 135.68 23.05 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 121.929 1.752 . . . . 1.0 111.955 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 40.2 t -98.05 84.04 3.22 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.928 -0.397 . . . . 1.0 109.928 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -88.03 165.88 27.01 Favored Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.941 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -93.98 39.72 0.2 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.553 2.169 . . . . 1.0 111.593 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.478 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.3 OUTLIER -75.01 146.12 81.99 Favored Pre-proline 0 C--N 1.317 -0.838 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.974 -179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.438 ' O ' ' CD2' ' A' ' 73' ' ' TYR . 39.9 Cg_endo . . . . . 0 N--CA 1.493 1.463 0 C-N-CA 121.996 1.797 . . . . 1.0 112.259 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.523 -0.065 0 CA-C-O 120.892 0.377 . . . . 1.0 110.529 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.8 m -60.92 150.6 32.7 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.221 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.0 m -61.09 -43.54 98.72 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.08 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.99 -45.33 82.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.209 0.528 . . . . 1.0 110.802 -179.48 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -59.52 -43.8 93.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.542 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.27 -42.8 92.86 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.566 -0.454 . . . . 1.0 110.347 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.56 -44.04 80.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 109.84 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.73 -41.24 91.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 CA-C-O 121.929 0.871 . . . . 1.0 109.651 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -59.99 -46.29 89.96 Favored 'General case' 0 C--N 1.308 -1.212 0 O-C-N 121.338 -0.851 . . . . 1.0 110.547 -178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.2 mt -64.14 -43.14 96.16 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.52 -178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.7 p -66.9 -38.58 81.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.43 -0.508 . . . . 1.0 110.56 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 17' ' ' THR . 78.5 m -58.32 -48.7 79.7 Favored 'General case' 0 C--O 1.24 0.6 0 CA-C-O 121.534 0.683 . . . . 1.0 109.382 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -62.69 -42.14 99.48 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.942 -0.703 . . . . 1.0 109.337 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.7 -43.2 65.46 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.447 -0.501 . . . . 1.0 111.103 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.469 HG22 ' HD3' ' B' ' 174' ' ' PRO . 48.5 p -65.85 -39.63 90.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.84 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.13 -41.37 97.23 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 119.774 -0.77 . . . . 1.0 110.164 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -65.04 -38.85 92.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.395 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -59.62 -39.42 84.19 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 23' ' ' LYS . 49.2 mttm -65.38 -41.33 93.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.134 -0.484 . . . . 1.0 109.833 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.46 10.55 1.0 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.768 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' H ' ' C ' ' A' ' 21' ' ' LYS . 28.6 mmtp 66.6 27.21 9.62 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.362 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.97 67.21 1.92 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.902 0.382 . . . . 1.0 110.224 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.605 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.1 m-85 -57.19 -40.09 76.69 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 121.148 -0.221 . . . . 1.0 110.468 -179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -61.48 -52.54 64.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.719 0.295 . . . . 1.0 111.064 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.76 -46.28 75.88 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.237 -0.585 . . . . 1.0 109.889 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.63 80.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.279 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 37.4 tp -59.27 -46.02 89.65 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 120.704 0.288 . . . . 1.0 111.049 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.38 -43.42 92.9 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 119.513 -0.875 . . . . 1.0 110.265 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 51.9 mt -66.6 -39.67 88.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.958 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -59.9 -49.11 78.98 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.866 0.365 . . . . 1.0 110.863 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.685 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -63.33 -50.75 68.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.596 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.67 -46.07 73.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.851 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.55 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.4 t -57.87 -44.29 86.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.924 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -53.98 -49.32 69.05 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.538 -0.465 . . . . 1.0 110.49 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -62.88 -37.97 89.02 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.426 -0.51 . . . . 1.0 111.006 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.6 m-85 -60.61 -49.21 78.44 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.586 -0.445 . . . . 1.0 110.39 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.33 -39.54 94.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.515 0.674 . . . . 1.0 109.908 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.611 ' CE1' ' CZ ' ' A' ' 45' ' ' TYR . 9.9 t60 -67.55 -26.73 66.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.305 0.574 . . . . 1.0 110.458 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -72.69 -47.33 48.15 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.859 -0.526 . . . . 1.0 111.375 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.4 pt -67.25 -32.8 59.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 112.475 0.546 . . . . 1.0 112.475 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -82.7 -47.73 11.68 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 113.435 0.902 . . . . 1.0 113.435 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 13.0 m-85 -81.21 -25.68 36.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.711 -0.677 . . . . 1.0 112.272 -176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 58.7 mm-40 -84.07 -112.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.312 -0.555 . . . . 1.0 111.308 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 159.13 63.66 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.085 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -82.92 -160.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 t -102.89 170.12 8.18 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.75 0.309 . . . . 1.0 110.222 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -60.93 -36.83 80.34 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.46 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -46.19 82.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.193 0.521 . . . . 1.0 110.227 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -61.49 -54.07 48.21 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.753 178.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.17 -50.97 47.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.133 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -53.37 -41.36 65.77 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.106 -0.638 . . . . 1.0 109.737 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.6 t -62.39 -43.51 98.66 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 119.861 -0.736 . . . . 1.0 110.748 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.42 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.0 mm -67.55 -45.67 84.71 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.701 -178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -61.58 -58.07 9.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.863 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.5 -51.8 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.169 0.509 . . . . 1.0 110.207 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.636 ' HZ1' ' CD ' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -62.56 -41.57 99.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.094 -0.503 . . . . 1.0 111.166 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -51.8 -37.03 50.0 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.725 -0.843 . . . . 1.0 108.725 -179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.8 t -67.09 -46.41 84.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.382 -0.527 . . . . 1.0 109.627 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.636 ' CD ' ' HZ1' ' A' ' 59' ' ' LYS . 67.2 mt-30 -54.13 -50.07 67.75 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.095 0.474 . . . . 1.0 110.58 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CE1' HG21 ' A' ' 13' ' ' VAL . 24.5 m-85 -63.05 -48.65 77.79 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.55 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -60.14 -47.59 85.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 119.556 -0.858 . . . . 1.0 110.408 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -51.86 -44.66 63.76 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.039 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 21.0 mmm180 -61.88 -43.56 98.6 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 119.765 -0.774 . . . . 1.0 109.365 179.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.7 -36.57 81.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.384 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -63.66 -54.9 28.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.618 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.5 OUTLIER -61.94 -36.52 81.64 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 120.197 -0.601 . . . . 1.0 110.279 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' HA ' ' CE2' ' A' ' 73' ' ' TYR . 22.1 mt -61.16 -48.87 79.6 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 121.189 0.518 . . . . 1.0 110.164 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.7 ttpp -70.99 -23.86 62.28 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.246 -0.888 . . . . 1.0 111.428 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -66.54 -56.03 12.73 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 112.947 0.721 . . . . 1.0 112.947 -178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.605 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.9 p90 -77.79 -28.73 50.5 Favored 'General case' 0 C--O 1.22 -0.485 0 C-N-CA 119.407 -0.917 . . . . 1.0 109.98 -179.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' CB ' ' A' ' 25' ' ' TYR . 17.2 mt -60.05 -48.93 79.66 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.432 -0.507 . . . . 1.0 109.78 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 . . . . . 0 C--N 1.319 -0.718 0 C-N-CA 119.954 -0.699 . . . . 1.0 110.166 179.621 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 93.3 mt . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 110.0 -0.37 . . . . 1.0 110.0 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . 0.498 ' N ' ' OE1' ' B' ' 169' ' ' GLU . 58.0 mp0 -129.07 111.37 12.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.754 179.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 11.2 mt -100.39 162.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.948 -179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -87.25 163.98 8.4 Favored 'Trans proline' 0 N--CA 1.498 1.777 0 C-N-CA 122.064 1.843 . . . . 1.0 112.041 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -105.82 127.3 53.02 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.079 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -56.88 141.64 74.66 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.626 -179.035 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.469 ' HD3' HG22 ' A' ' 17' ' ' THR . 67.2 Cg_endo -70.9 150.82 61.89 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.353 2.035 . . . . 1.0 111.843 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 36.1 t -112.64 85.7 2.22 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -86.19 166.37 28.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -93.08 13.71 1.7 Allowed 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.504 2.136 . . . . 1.0 112.149 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.454 HD22 ' CE1' ' A' ' 25' ' ' TYR . 1.8 pp -54.25 142.78 47.51 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.442 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 N--CA 1.499 1.796 0 C-N-CA 121.581 1.521 . . . . 1.0 112.577 -179.58 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 HG22 ' N ' ' A' ' 4' ' ' SER . 59.6 m . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.233 0.54 . . . . 1.0 110.479 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.426 ' N ' HG22 ' A' ' 3' ' ' THR . 22.2 m -74.99 151.42 38.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.507 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m -61.06 -44.25 97.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.448 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 tt -66.78 -42.17 86.46 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.406 . . . . 1.0 111.035 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -56.61 -45.88 81.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.699 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -63.36 -39.52 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.539 -0.541 . . . . 1.0 109.539 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.625 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -57.48 -48.07 80.19 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 120.578 -0.449 . . . . 1.0 110.564 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.0 mt -62.64 -41.12 90.99 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.454 0 CA-C-O 121.76 0.79 . . . . 1.0 109.537 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -60.57 -43.12 97.65 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.632 -0.668 . . . . 1.0 110.53 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.675 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.2 p -68.76 -38.58 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.982 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.513 ' O ' ' OG1' ' A' ' 17' ' ' THR . 5.9 m -57.25 -49.87 74.69 Favored 'General case' 0 C--O 1.242 0.672 0 N-CA-C 109.181 -0.674 . . . . 1.0 109.181 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 27.6 ttpt -65.01 -41.02 95.7 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.401 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.55 -43.24 65.08 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.761 -0.376 . . . . 1.0 110.416 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 14' ' ' THR . 26.2 p -65.43 -38.6 90.36 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 120.927 0.394 . . . . 1.0 110.92 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -66.07 -39.18 89.86 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.142 -0.623 . . . . 1.0 110.568 179.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -66.87 -40.33 87.81 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.864 -0.607 . . . . 1.0 109.45 -178.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.413 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 15.9 t70 -57.93 -40.43 80.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.861 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' C ' ' H ' ' A' ' 23' ' ' LYS . 52.9 mttt -65.1 -39.26 92.89 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.43 11.31 1.02 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.795 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 21' ' ' LYS . 68.4 mmtt 66.93 26.93 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.59 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 0.9 OUTLIER -97.61 67.26 2.03 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-O 121.426 0.632 . . . . 1.0 110.247 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.591 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.8 m-85 -56.54 -43.94 80.36 Favored 'General case' 0 C--N 1.311 -1.082 0 O-C-N 122.072 -0.392 . . . . 1.0 110.59 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -59.95 -54.08 50.28 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.608 -0.437 . . . . 1.0 111.281 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.528 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 38.0 tt0 -65.32 -46.62 79.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.636 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -44.8 84.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.102 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' CD1' ' HB1' ' A' ' 67' ' ' ALA . 32.1 tp -58.29 -47.51 83.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 123.27 0.357 . . . . 1.0 110.977 -179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -58.03 -42.96 86.43 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.318 -0.553 . . . . 1.0 110.627 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 66.0 mt -67.67 -39.07 84.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.611 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -59.73 -49.93 75.81 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.602 -0.439 . . . . 1.0 111.188 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.85 -42.94 99.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.696 -179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -62.21 -49.03 77.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.612 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.55 -45.72 77.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.786 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.443 HG21 ' HG ' ' A' ' 64' ' ' LEU . 39.0 t -58.01 -44.77 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.372 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -55.95 -47.08 78.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.467 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.81 -39.19 93.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.56 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.625 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 14.1 m-85 -61.67 -50.51 72.21 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 120.949 0.404 . . . . 1.0 110.622 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 60.3 mt -62.36 -41.23 98.44 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.795 -0.638 . . . . 1.0 109.884 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.664 ' NE2' ' CE1' ' A' ' 45' ' ' TYR . 34.2 t-80 -66.53 -28.65 68.71 Favored 'General case' 0 C--O 1.214 -0.783 0 CA-C-O 121.122 0.487 . . . . 1.0 111.215 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.592 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -70.69 -47.39 60.1 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 112.134 0.42 . . . . 1.0 112.134 -178.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' H ' HG12 ' A' ' 43' ' ' ILE . 7.7 pt -62.01 -30.65 49.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 112.455 0.539 . . . . 1.0 112.455 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.6 mtpt -85.87 -44.93 12.01 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.261 0.837 . . . . 1.0 113.261 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.664 ' CE1' ' NE2' ' A' ' 41' ' ' HIS . 32.7 m-85 -84.72 -22.04 29.87 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 115.617 -0.72 . . . . 1.0 112.368 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 40.3 mm-40 -92.52 -118.52 0.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.921 0.391 . . . . 1.0 110.513 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' O ' ' CE ' ' A' ' 53' ' ' LYS . . . -165.03 -89.92 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.949 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 63.79 -179.25 0.16 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.231 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.8 m -104.01 170.82 7.69 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.922 0.391 . . . . 1.0 110.637 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -60.21 -34.84 74.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.168 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -65.63 -43.66 88.84 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 121.234 0.54 . . . . 1.0 110.165 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HB1' HG12 ' B' ' 168' ' ' ILE . . . -65.8 -50.37 64.92 Favored 'General case' 0 C--O 1.216 -0.694 0 CA-C-N 115.856 -0.611 . . . . 1.0 109.656 179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -50.61 -49.99 55.16 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.577 -0.449 . . . . 1.0 110.146 -179.764 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -54.33 -39.13 66.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.298 0.374 . . . . 1.0 110.032 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.433 ' HB3' ' O ' ' A' ' 52' ' ' ALA . 10.6 t -61.37 -43.24 99.21 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.449 -0.501 . . . . 1.0 109.983 179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.506 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 11.5 mm -67.85 -44.4 85.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.023 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -63.74 -38.22 90.29 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.088 -0.505 . . . . 1.0 111.002 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.58 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -69.07 -49.49 56.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.899 0.857 . . . . 1.0 110.718 179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 23.3 mmmt -67.43 -36.7 81.76 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 121.77 -0.581 . . . . 1.0 110.7 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 8.8 m -55.35 -50.33 69.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.026 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.2 p -64.18 -29.59 47.75 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.793 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -69.72 -47.4 63.24 Favored 'General case' 0 C--O 1.24 0.605 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.477 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 59' ' ' LYS . 25.9 m-85 -60.88 -48.4 82.0 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.586 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.443 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.6 mt -59.33 -50.72 72.91 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.085 -0.646 . . . . 1.0 109.967 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.845 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 32.7 t0 -46.42 -43.17 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.984 -0.747 . . . . 1.0 108.984 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.505 ' NH2' ' O ' ' B' ' 174' ' ' PRO . 12.3 mmm180 -66.13 -45.8 79.79 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.411 0.624 . . . . 1.0 110.993 178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 29' ' ' LEU . . . -60.06 -41.47 92.41 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.724 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.845 ' HG3' ' O ' ' A' ' 65' ' ' ASP . 1.5 pp20? -62.31 -48.52 79.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.94 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.521 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 2.8 ptmm? -65.22 -36.52 84.42 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.082 0.468 . . . . 1.0 109.87 -179.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.7 mt -61.96 -47.12 86.28 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.033 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -71.83 -22.04 61.6 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.238 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -68.03 -58.29 4.75 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 112.858 0.688 . . . . 1.0 112.858 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.591 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 5.0 p90 -75.48 -29.52 59.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.655 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.6 mt -60.33 -49.88 75.82 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 . . . . . 0 C--N 1.332 -0.172 0 O-C-N 123.69 0.619 . . . . 1.0 110.073 178.896 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.451 HG12 ' HB1' ' A' ' 52' ' ' ALA . 1.5 mp . . . . . 0 CA--C 1.522 -0.11 0 CA-C-O 120.923 0.392 . . . . 1.0 110.548 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . 0.551 ' C ' HD22 ' B' ' 170' ' ' LEU . 6.3 pt-20 -134.1 112.62 11.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.795 -0.639 . . . . 1.0 111.174 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 39' ' ' PHE . 3.0 mm? -107.38 157.71 34.96 Favored Pre-proline 0 N--CA 1.454 -0.272 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.03 -179.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -95.73 -174.63 0.29 Allowed 'Trans proline' 0 C--N 1.314 -1.264 0 C-N-CA 122.08 1.853 . . . . 1.0 111.003 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -117.17 142.63 46.78 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.139 0.495 . . . . 1.0 110.581 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -78.64 133.38 62.9 Favored Pre-proline 0 N--CA 1.449 -0.479 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.515 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.505 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 58.7 Cg_endo -73.95 116.53 4.69 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 122.453 2.102 . . . . 1.0 111.965 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.7 p -94.33 84.2 4.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.077 0.465 . . . . 1.0 110.191 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.589 ' C ' ' H ' ' B' ' 178' ' ' LEU . 57.7 mt-10 -87.56 170.54 11.58 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.661 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -63.78 29.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.419 2.08 . . . . 1.0 111.913 178.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.589 ' H ' ' C ' ' B' ' 176' ' ' GLU . 23.5 mt -42.19 138.24 2.0 Allowed Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.621 -178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo . . . . . 0 C--N 1.307 -1.657 0 C-N-CA 122.165 1.91 . . . . 1.0 111.942 -179.422 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.143 0.497 . . . . 1.0 110.757 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.6 m -63.8 154.74 32.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.152 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 m -61.01 -45.91 92.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.243 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.547 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -67.25 -45.16 77.55 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.108 0.48 . . . . 1.0 110.661 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -57.9 -45.14 86.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.405 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -64.48 -42.51 95.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.91 -44.36 82.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.846 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.526 ' O ' HG12 ' A' ' 13' ' ' VAL . 96.8 mt -64.59 -41.98 93.82 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-O 122.076 0.941 . . . . 1.0 109.725 179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.36 -47.71 84.4 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 121.358 -0.838 . . . . 1.0 110.743 -178.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.3 -42.67 99.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.489 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.6 p -67.66 -39.8 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.283 -0.567 . . . . 1.0 110.533 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 17' ' ' THR . 6.8 m -57.02 -51.46 69.16 Favored 'General case' 0 C--O 1.239 0.553 0 CA-C-O 121.331 0.586 . . . . 1.0 109.438 -179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -62.49 -41.0 98.49 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 119.749 -0.78 . . . . 1.0 109.317 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.87 -42.95 63.06 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.257 -0.577 . . . . 1.0 110.943 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HD3' ' B' ' 174' ' ' PRO . 62.2 p -66.82 -38.59 86.74 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.349 -0.541 . . . . 1.0 110.601 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.067 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -65.8 -40.57 92.03 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.537 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -59.07 -40.85 86.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 23' ' ' LYS . 24.0 mttt -65.95 -39.63 90.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.981 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.35 8.29 1.81 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.689 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' A' ' 21' ' ' LYS . 69.8 mmtt 68.86 26.11 5.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -97.83 69.67 2.12 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.347 0.594 . . . . 1.0 109.933 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.582 ' CD2' ' OH ' ' A' ' 73' ' ' TYR . 3.0 m-85 -57.35 -43.13 83.22 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -60.87 -52.71 63.88 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 1.0 111.428 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -65.76 -45.8 81.18 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.451 -0.499 . . . . 1.0 110.16 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.62 -44.53 81.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.804 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -60.39 -44.98 95.13 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.802 0.334 . . . . 1.0 111.374 -179.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -60.04 -43.39 95.36 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.481 -0.888 . . . . 1.0 109.988 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.73 -39.37 87.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.042 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -59.87 -48.52 81.36 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.81 -0.356 . . . . 1.0 110.724 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.31 -41.39 96.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.934 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -64.51 -51.17 64.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.663 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.28 -46.3 72.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.644 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.421 HG21 ' HG ' ' A' ' 64' ' ' LEU . 45.4 t -58.5 -43.79 87.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.609 -0.436 . . . . 1.0 110.147 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -53.85 -49.84 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.574 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.27 -37.35 86.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.925 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.588 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.6 m-85 -60.29 -49.15 78.73 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.619 -0.433 . . . . 1.0 110.399 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.5 mt -63.11 -38.96 93.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.745 -0.661 . . . . 1.0 109.999 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.645 ' CD2' ' CE1' ' A' ' 45' ' ' TYR . 60.0 t-80 -67.76 -29.1 68.23 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.484 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -71.27 -47.0 59.64 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 121.949 -0.469 . . . . 1.0 111.552 -179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.82 -32.67 55.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.284 -0.566 . . . . 1.0 112.514 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -82.26 -47.59 12.23 Favored 'General case' 0 CA--C 1.504 -0.792 0 N-CA-C 113.065 0.765 . . . . 1.0 113.065 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.645 ' CE1' ' CD2' ' A' ' 41' ' ' HIS . 6.9 m-85 -79.82 -27.44 40.25 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.468 -0.787 . . . . 1.0 112.009 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 76.9 mt-10 -88.06 -110.25 0.07 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 119.939 -0.704 . . . . 1.0 111.363 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 156.47 72.41 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.165 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.543 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 90.6 m-70 -86.09 -162.78 0.78 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.767 0.318 . . . . 1.0 110.423 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.8 m -97.38 159.84 14.68 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.791 0.329 . . . . 1.0 110.211 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -51.68 -38.01 53.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.634 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.455 ' O ' ' OG ' ' A' ' 55' ' ' SER . 73.4 mmtt -66.19 -44.53 83.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.434 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' B' ' 168' ' ' ILE . . . -63.33 -54.15 41.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.673 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -53.07 27.9 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 120.725 -0.39 . . . . 1.0 110.654 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -54.21 -39.92 67.16 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.52 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' A' ' 51' ' ' LYS . 2.1 m -61.2 -43.81 98.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 120.081 -0.648 . . . . 1.0 110.14 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.5 mm -67.85 -44.29 85.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 CA-C-O 120.988 0.423 . . . . 1.0 110.546 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -61.7 -58.34 8.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.326 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.25 -49.56 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.215 0.531 . . . . 1.0 110.518 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' NZ ' ' OH ' ' A' ' 63' ' ' TYR . 5.4 mmmm -63.22 -42.77 99.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.2 m -52.38 -38.92 60.06 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 67.8 t -65.41 -48.02 84.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.421 -0.512 . . . . 1.0 109.807 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -55.63 -47.45 76.58 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.58 -179.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.563 ' OH ' ' NZ ' ' A' ' 59' ' ' LYS . 27.3 m-85 -62.11 -50.31 72.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.595 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.421 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.0 mt -59.96 -47.48 85.65 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 119.792 -0.763 . . . . 1.0 110.128 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -51.31 -45.27 62.15 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.276 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -61.35 -44.39 97.25 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 119.753 -0.779 . . . . 1.0 109.427 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -61.88 -36.21 80.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.276 -0.57 . . . . 1.0 110.684 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.29 -54.47 32.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.891 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -61.39 -35.48 77.64 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 119.887 -0.725 . . . . 1.0 109.851 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 74' ' ' LEU . 23.8 mt -60.51 -46.43 90.17 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.181 0.515 . . . . 1.0 109.892 -179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' HD11 ' A' ' 29' ' ' LEU . 32.1 ttmt -71.04 -24.82 62.42 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.055 -0.975 . . . . 1.0 110.878 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.55 -56.4 12.5 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 112.71 0.634 . . . . 1.0 112.71 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' OH ' ' CD2' ' A' ' 25' ' ' TYR . 13.7 p90 -77.62 -31.18 52.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 119.331 -0.947 . . . . 1.0 110.565 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.472 HD12 ' O ' ' A' ' 70' ' ' LEU . 19.3 mt -60.13 -49.02 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 119.988 -0.685 . . . . 1.0 110.1 179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 . . . . . 0 N--CA 1.451 -0.404 0 C-N-CA 120.448 -0.501 . . . . 1.0 110.408 179.251 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.95 HD12 ' HB1' ' A' ' 52' ' ' ALA . 9.4 mt . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.188 0.518 . . . . 1.0 109.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' B' ' 169' ' ' GLU . 52.5 mp0 -120.76 124.74 45.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.21 -0.905 . . . . 1.0 109.3 178.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.508 ' HB2' ' HZ2' ' A' ' 59' ' ' LYS . 7.8 mt -123.61 163.57 33.86 Favored Pre-proline 0 N--CA 1.467 0.377 0 CA-C-N 116.464 -0.334 . . . . 1.0 110.999 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -89.39 171.13 4.51 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.894 1.729 . . . . 1.0 111.755 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -111.39 133.11 53.93 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.042 -0.526 . . . . 1.0 109.764 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.31 141.25 96.32 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.911 -179.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.431 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.8 Cg_endo -72.86 154.45 53.55 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.972 1.781 . . . . 1.0 111.59 178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -115.81 86.04 2.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' B' ' 176' ' ' GLU . 41.1 mp0 -85.46 162.5 48.05 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.785 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -93.23 55.91 0.43 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 121.954 1.769 . . . . 1.0 111.687 178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.717 ' H ' HD12 ' B' ' 178' ' ' LEU . 0.0 OUTLIER -80.8 172.73 9.08 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.735 -178.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.419 ' CD ' ' CB ' ' B' ' 178' ' ' LEU . 24.4 Cg_exo . . . . . 0 N--CA 1.496 1.672 0 C-N-CA 121.68 1.587 . . . . 1.0 111.042 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.88 0.371 . . . . 1.0 110.7 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t -56.6 162.58 2.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.998 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 m -60.5 -46.77 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.989 -0.551 . . . . 1.0 109.9 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tp -67.33 -41.91 84.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.049 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -58.08 -43.74 87.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.748 -0.66 . . . . 1.0 109.361 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.595 -0.73 . . . . 1.0 109.247 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.682 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.71 -42.19 92.51 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 120.066 -0.653 . . . . 1.0 110.081 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.5 mt -65.0 -41.59 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.906 0.86 . . . . 1.0 110.121 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -61.39 -44.35 97.3 Favored 'General case' 0 C--N 1.313 -0.987 0 O-C-N 121.426 -0.796 . . . . 1.0 110.547 -178.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 38' ' ' TYR . 49.8 mt -64.75 -43.42 93.39 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 1.0 111.627 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 ' O ' ' A' ' 10' ' ' ILE . 3.3 p -68.24 -36.86 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.465 -0.494 . . . . 1.0 110.591 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' A' ' 17' ' ' THR . 95.4 m -58.92 -47.9 83.39 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-O 121.409 0.623 . . . . 1.0 109.495 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -64.1 -42.38 96.92 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.184 -0.606 . . . . 1.0 109.59 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.23 -42.69 63.81 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.953 -179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.472 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.3 p -66.92 -37.24 83.98 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.467 -0.493 . . . . 1.0 110.588 -179.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -65.87 -41.05 92.08 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.904 -0.719 . . . . 1.0 110.057 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -40.25 87.22 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.005 0.431 . . . . 1.0 110.713 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -58.45 -41.63 85.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.654 -0.499 . . . . 1.0 109.654 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.9 mttt -65.68 -39.37 91.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.122 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.08 10.89 0.81 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 21' ' ' LYS . 27.3 mmtp 67.14 22.09 9.91 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 124.036 0.835 . . . . 1.0 110.562 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -94.89 66.87 3.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.19 0.519 . . . . 1.0 110.245 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.581 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.7 m-85 -56.73 -40.91 76.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.508 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -60.62 -52.57 64.58 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.529 -0.468 . . . . 1.0 111.31 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -66.38 -46.67 75.88 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.706 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.57 -45.77 77.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.694 -0.685 . . . . 1.0 110.442 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 tp -58.67 -47.14 85.5 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 120.717 0.294 . . . . 1.0 110.833 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 mtp-105 -58.14 -43.89 87.55 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 119.616 -0.834 . . . . 1.0 110.289 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 58.5 mt -66.05 -40.02 90.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.108 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -59.61 -49.84 76.2 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.871 0.367 . . . . 1.0 110.907 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.92 -43.57 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.626 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -62.46 -51.55 67.02 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.632 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.06 68.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.694 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.499 HG21 ' HG ' ' A' ' 64' ' ' LEU . 38.7 t -58.25 -43.96 87.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 C-N-CA 120.458 -0.497 . . . . 1.0 110.012 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 -53.68 -49.63 67.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.606 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.418 ' CD2' ' CD1' ' A' ' 12' ' ' LEU . 57.1 m-85 -62.98 -39.0 93.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.941 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.682 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 13.3 m-85 -60.92 -50.69 72.4 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.256 0.55 . . . . 1.0 110.176 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.786 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 69.6 mt -62.72 -42.8 99.84 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.097 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.627 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 5.0 t60 -64.63 -28.52 69.68 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.146 0.498 . . . . 1.0 111.264 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -70.33 -47.84 59.21 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 111.988 0.366 . . . . 1.0 111.988 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.488 ' O ' ' NZ ' ' A' ' 53' ' ' LYS . 8.0 pt -62.79 -31.93 54.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 112.183 0.438 . . . . 1.0 112.183 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.786 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 10.0 mtpt -83.71 -44.05 14.88 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 112.9 0.704 . . . . 1.0 112.9 -179.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 38.3 m-85 -85.89 -18.8 31.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.486 -177.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.623 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -87.19 -120.17 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.173 -0.611 . . . . 1.0 111.245 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . 164.33 32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.05 0.452 . . . . 1.0 109.975 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.443 ' O ' ' O ' ' A' ' 47' ' ' ALA . 97.9 m-70 -54.78 -162.62 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.5 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.0 m -102.13 159.67 15.18 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.867 0.365 . . . . 1.0 110.71 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -49.56 -38.65 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.547 -179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 31.4 mtmm -63.4 -40.19 96.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.84 0.829 . . . . 1.0 109.782 178.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -65.42 -56.29 13.31 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 119.387 -0.925 . . . . 1.0 110.09 179.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.488 ' NZ ' ' O ' ' A' ' 43' ' ' ILE . 4.9 mptp? -48.38 -56.37 8.33 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.516 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 7.8 pt-20 -52.47 -41.55 63.43 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.203 -0.599 . . . . 1.0 110.152 -178.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.452 ' N ' ' CG ' ' A' ' 54' ' ' GLU . 34.9 t -61.65 -42.11 98.45 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.032 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.486 HG12 ' O ' ' A' ' 52' ' ' ALA . 16.4 mm -66.83 -44.47 89.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.447 -178.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -60.13 -58.41 8.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.255 -179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.54 -51.54 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.101 0.477 . . . . 1.0 110.542 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -62.24 -41.98 98.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.588 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -52.45 -40.27 62.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.176 -0.676 . . . . 1.0 109.176 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.41 -48.4 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.542 -0.463 . . . . 1.0 110.101 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -54.22 -47.43 72.17 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.365 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.403 ' CE1' HG21 ' A' ' 13' ' ' VAL . 25.6 m-85 -62.66 -49.23 75.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.367 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.9 mt -59.9 -48.75 80.42 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 119.568 -0.853 . . . . 1.0 110.255 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -50.34 -44.76 54.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.929 0.395 . . . . 1.0 110.101 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' HG11 ' B' ' 173' ' ' VAL . 16.8 mmm180 -61.84 -44.32 97.07 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 119.932 -0.707 . . . . 1.0 109.375 178.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.15 -34.76 75.53 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -64.78 -54.92 23.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.32 -179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -62.71 -36.24 82.32 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.082 -0.647 . . . . 1.0 110.382 -179.276 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 74' ' ' LEU . 27.6 mt -61.1 -49.08 78.74 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.19 0.519 . . . . 1.0 110.007 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -71.26 -22.22 62.0 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.468 -0.787 . . . . 1.0 111.189 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -68.14 -57.09 6.62 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 112.426 0.528 . . . . 1.0 112.426 -178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.581 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.6 p90 -77.25 -29.01 53.81 Favored 'General case' 0 C--O 1.217 -0.653 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.693 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD11 ' CB ' ' A' ' 25' ' ' TYR . 21.0 mt -61.49 -48.2 82.18 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.656 178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 . . . . . 0 C--N 1.332 -0.188 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.14 179.35 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 109.99 -0.374 . . . . 1.0 109.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -116.99 105.34 12.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.829 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.82 160.6 29.82 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.795 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -88.76 162.39 6.26 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.07 1.847 . . . . 1.0 111.978 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -107.57 134.86 49.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.094 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.42 HG11 ' HG3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -58.77 139.41 86.43 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.817 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.472 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.3 Cg_endo -72.82 153.76 53.49 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.816 1.677 . . . . 1.0 112.114 179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 73.2 m -105.31 85.53 2.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.759 -0.459 . . . . 1.0 109.759 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -85.82 166.56 28.85 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.416 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -87.27 47.43 1.53 Allowed 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.393 2.062 . . . . 1.0 111.577 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 178' ' ' LEU . 17.4 mt -44.02 155.57 0.34 Allowed Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.72 -178.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 178' ' ' LEU . 19.4 Cg_exo . . . . . 0 N--CA 1.498 1.769 0 C-N-CA 121.218 1.279 . . . . 1.0 112.532 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.6 m . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 120.43 0.157 . . . . 1.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 m -59.83 148.05 36.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.391 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 m -62.12 -45.7 92.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.498 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.66 -42.18 95.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.716 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -57.72 -42.27 83.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.894 -0.593 . . . . 1.0 109.598 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -64.41 -41.12 96.81 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.675 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.26 -41.62 89.26 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.026 0.441 . . . . 1.0 110.431 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.682 ' O ' HG12 ' A' ' 13' ' ' VAL . 97.1 mt -66.35 -43.53 91.34 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 121.881 0.848 . . . . 1.0 109.724 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -58.18 -48.36 80.55 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.639 -0.663 . . . . 1.0 110.216 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.7 mt -63.65 -43.02 97.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.425 -0.352 . . . . 1.0 111.619 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.682 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -65.75 -40.47 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.757 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.53 ' O ' ' OG1' ' A' ' 17' ' ' THR . 55.5 m -57.49 -50.61 72.5 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.282 -0.636 . . . . 1.0 109.282 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 1.7 tppt? -59.99 -41.5 92.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.53 178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.4 -45.07 65.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.784 0.326 . . . . 1.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.53 ' OG1' ' O ' ' A' ' 14' ' ' THR . 63.5 p -63.24 -41.94 99.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.131 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 15' ' ' LYS . 1.3 pt-20 -62.96 -39.45 94.7 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.542 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 72.0 mm-40 -66.61 -39.56 88.4 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 66' ' ' ARG . 27.7 t0 -60.06 -38.02 81.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.836 179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.4 mttt -66.42 -40.15 89.38 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.285 -0.416 . . . . 1.0 109.901 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.59 8.73 2.68 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.534 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp 68.13 29.45 6.21 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.553 0.533 . . . . 1.0 110.592 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -99.92 69.61 1.56 Allowed 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 121.4 0.619 . . . . 1.0 110.009 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.9 m-85 -57.31 -40.6 78.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.765 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.35 -54.11 48.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.798 0.332 . . . . 1.0 110.953 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -65.03 -45.42 85.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.44 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.84 89.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.294 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 tp -59.23 -45.4 91.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.958 -0.297 . . . . 1.0 111.148 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -60.95 -41.85 97.1 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.485 -0.486 . . . . 1.0 110.666 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 35.0 mt -68.35 -39.25 81.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.534 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -59.52 -49.2 78.71 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.892 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -63.03 -40.34 97.43 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.688 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -65.36 -50.2 66.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.533 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.71 -49.2 62.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.459 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.514 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.4 t -57.49 -43.07 82.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.639 -179.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -54.8 -50.11 69.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.857 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -64.09 -37.86 88.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.675 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 10.9 m-85 -60.52 -49.44 77.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.571 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.94 -36.07 82.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.293 0.568 . . . . 1.0 110.17 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.642 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 59.2 t-80 -70.95 -26.55 63.23 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.923 -0.581 . . . . 1.0 110.644 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.566 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -71.13 -47.81 55.77 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.327 0.584 . . . . 1.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 12.0 pt -68.29 -32.24 54.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 120.641 -0.424 . . . . 1.0 111.544 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -81.27 -51.24 8.59 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.657 0.614 . . . . 1.0 112.657 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.642 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 11.4 m-85 -84.45 -14.12 50.14 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.404 -178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.566 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 19.3 mm-40 -122.72 164.4 18.37 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.686 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.552 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -108.64 150.07 28.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.802 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 91.2 m-70 -161.04 -177.66 6.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.0 m -79.28 175.02 10.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.687 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 23.6 p-10 -68.64 -55.49 11.32 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 23.0 mtmm -56.72 -27.76 59.71 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.496 -0.557 . . . . 1.0 109.496 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -68.08 -55.18 13.44 Favored 'General case' 0 C--O 1.221 -0.444 0 N-CA-C 109.53 -0.544 . . . . 1.0 109.53 179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -48.02 78.28 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.916 -0.313 . . . . 1.0 110.474 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -57.0 -36.11 70.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.272 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.2 m -64.52 -42.59 95.69 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.028 0.442 . . . . 1.0 110.262 179.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 52' ' ' ALA . 9.3 mm -68.26 -46.38 81.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.291 -178.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -60.32 -58.87 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.212 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.15 -50.79 61.07 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.081 0.467 . . . . 1.0 110.586 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -62.38 -42.64 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.178 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 m -52.86 -40.42 63.41 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.9 t -63.98 -47.81 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.5 -0.556 . . . . 1.0 109.5 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -55.99 -46.87 78.56 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 -179.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -62.84 -50.71 69.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.135 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.5 mt -59.54 -48.7 80.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.331 -0.548 . . . . 1.0 110.773 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -51.21 -46.52 62.24 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.613 ' CD ' ' HZ2' ' A' ' 69' ' ' LYS . 12.3 mmm180 -59.72 -45.23 92.79 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 121.079 0.466 . . . . 1.0 110.168 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.75 90.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.281 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -59.84 -55.03 39.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.073 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.613 ' HZ2' ' CD ' ' A' ' 66' ' ' ARG . 5.5 pttm -61.67 -37.27 83.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.515 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 74' ' ' LEU . 18.1 mt -59.15 -49.26 78.56 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.329 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -72.64 -23.16 60.87 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.335 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.72 -56.8 10.14 Favored 'General case' 0 C--O 1.239 0.536 0 N-CA-C 112.508 0.559 . . . . 1.0 112.508 -177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 4.2 p90 -78.21 -28.43 48.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.686 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.596 HD12 ' O ' ' A' ' 70' ' ' LEU . 15.5 mt -60.74 -49.39 77.69 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 . . . . . 0 C--O 1.238 0.457 0 CA-C-O 121.033 0.444 . . . . 1.0 110.208 178.624 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.4 ' CD1' ' CB ' ' A' ' 52' ' ' ALA . 97.2 mt . . . . . 0 CA--C 1.519 -0.234 0 CA-C-O 120.959 0.409 . . . . 1.0 110.343 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -130.9 113.82 14.51 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.509 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.2 mt -108.21 160.98 25.0 Favored Pre-proline 0 C--O 1.233 0.194 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.983 -179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -91.77 158.59 3.45 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.328 2.019 . . . . 1.0 112.09 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -105.29 129.13 53.71 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.388 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.437 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.1 OUTLIER -51.29 136.35 30.63 Favored Pre-proline 0 N--CA 1.451 -0.403 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.912 -179.262 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.415 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.1 Cg_endo -72.68 154.65 54.5 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.269 1.979 . . . . 1.0 112.713 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 74.5 m -110.79 84.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.323 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 178' ' ' LEU . 37.4 mm-40 -86.46 167.88 21.11 Favored Pre-proline 0 N--CA 1.452 -0.354 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.833 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -65.3 37.88 0.12 Allowed 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.513 2.142 . . . . 1.0 111.761 177.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' B' ' 176' ' ' GLU . 28.3 mt -42.58 140.19 1.81 Allowed Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.269 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 C--N 1.306 -1.682 0 C-N-CA 122.313 2.008 . . . . 1.0 112.692 -179.033 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 1.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.1 t -65.58 156.33 33.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.39 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 m -61.22 -42.79 99.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.564 . . . . 1.0 109.984 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -65.52 -43.93 88.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.192 0.52 . . . . 1.0 110.79 -179.441 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -61.02 -45.14 95.99 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.253 -0.579 . . . . 1.0 110.572 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -64.0 -42.78 97.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.414 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.586 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.73 -43.95 81.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.843 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.85 -41.85 94.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.119 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.295 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -61.51 -46.07 91.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.329 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -62.94 -44.92 94.75 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.431 -0.349 . . . . 1.0 111.423 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -69.92 -34.71 61.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.03 -0.668 . . . . 1.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' A' ' 17' ' ' THR . 51.6 m -58.16 -49.95 75.2 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.616 0.722 . . . . 1.0 109.198 179.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -63.09 -40.62 98.18 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.722 -0.791 . . . . 1.0 109.395 178.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.1 65.62 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 120.218 -0.593 . . . . 1.0 110.949 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.461 HG22 ' HD3' ' B' ' 174' ' ' PRO . 42.9 p -66.11 -37.46 85.79 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.35 -0.54 . . . . 1.0 110.519 -179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -41.18 93.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.858 -0.737 . . . . 1.0 109.655 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -66.0 -41.28 91.25 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.649 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -58.6 -41.49 85.97 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.054 -0.521 . . . . 1.0 109.64 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 23' ' ' LYS . 21.6 mttt -66.13 -38.88 89.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.232 178.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.57 13.63 0.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.619 -179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' H ' ' C ' ' A' ' 21' ' ' LYS . 71.6 mmtt 64.62 30.27 12.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.333 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.558 ' ND2' ' OE1' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -104.05 69.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.288 0.566 . . . . 1.0 109.63 179.578 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.599 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 4.2 m-85 -56.83 -45.17 82.53 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.554 -179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -60.7 -53.68 54.47 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.572 -0.451 . . . . 1.0 112.025 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 40.0 tt0 -63.21 -45.26 92.52 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.183 -0.607 . . . . 1.0 110.241 -179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.27 81.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.264 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.482 ' CD2' ' HB1' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -59.91 -46.7 88.51 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.692 0.282 . . . . 1.0 110.973 -179.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -59.08 -44.33 91.88 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.552 -0.859 . . . . 1.0 109.848 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.0 mt -65.1 -40.82 95.1 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.954 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.61 -48.32 82.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.909 0.385 . . . . 1.0 111.118 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -63.34 -44.14 95.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.892 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -60.81 -49.38 77.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.584 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.44 -45.18 76.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG21 ' HG ' ' A' ' 64' ' ' LEU . 44.0 t -57.6 -44.45 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.095 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -54.77 -49.33 71.14 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.319 -0.553 . . . . 1.0 110.443 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -62.91 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.353 -0.539 . . . . 1.0 110.959 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.586 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 15.6 m-85 -61.24 -49.92 75.15 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.275 0.559 . . . . 1.0 110.939 -179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 77.1 mt -63.51 -41.11 98.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.536 -0.756 . . . . 1.0 109.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.623 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 21.9 t60 -62.6 -37.17 85.22 Favored 'General case' 0 C--N 1.314 -0.94 0 C-N-CA 120.096 -0.642 . . . . 1.0 110.376 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.2 -46.43 80.73 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.831 0.678 . . . . 1.0 112.831 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.422 HG22 ' HZ3' ' A' ' 53' ' ' LYS . 15.8 pt -63.91 -34.75 70.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.249 0 C-N-CA 119.52 -0.872 . . . . 1.0 111.372 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 40' ' ' LEU . 55.7 mttm -83.93 -46.79 11.72 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.467 0.914 . . . . 1.0 113.467 179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.623 ' CD1' ' CE1' ' A' ' 41' ' ' HIS . 63.2 m-85 -91.54 -18.49 24.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.762 -0.654 . . . . 1.0 112.032 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 73.4 mm-40 -118.17 130.37 56.06 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.203 0.525 . . . . 1.0 109.596 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.26 144.13 44.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.614 -178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.547 ' HB2' ' NZ ' ' A' ' 53' ' ' LYS . 29.3 m-70 -155.61 -169.25 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.572 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' ALA . 12.0 m -95.54 143.2 27.05 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.827 0.346 . . . . 1.0 110.577 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -45.4 -38.74 6.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.033 0.444 . . . . 1.0 110.41 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -63.21 -38.88 92.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.007 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -62.02 -54.95 34.4 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 120.368 -0.533 . . . . 1.0 110.162 179.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.583 ' HE2' ' H ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -48.72 -53.39 19.08 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 120.437 -0.505 . . . . 1.0 109.905 -178.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.36 -41.98 63.53 Favored 'General case' 0 C--N 1.316 -0.856 0 C-N-CA 119.546 -0.862 . . . . 1.0 109.646 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.1 t -62.4 -43.73 98.12 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.027 -0.669 . . . . 1.0 110.582 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 52' ' ' ALA . 12.4 mm -67.86 -44.59 85.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 CA-C-O 121.006 0.431 . . . . 1.0 110.612 -178.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.76 -40.34 94.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.791 -178.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 61' ' ' VAL . . . -67.35 -49.92 62.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.842 0.829 . . . . 1.0 110.786 179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -66.7 -36.23 82.0 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 120.11 -0.636 . . . . 1.0 110.396 179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 11.9 m -55.9 -50.86 69.52 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.237 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 58' ' ' ALA . 7.5 p -64.06 -29.74 48.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 C-N-CA 120.539 -0.464 . . . . 1.0 110.689 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -69.73 -45.69 67.61 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 120.294 -0.562 . . . . 1.0 110.849 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -62.22 -48.72 78.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.549 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 36' ' ' VAL . 9.2 mt -60.75 -49.5 77.24 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.374 -0.93 . . . . 1.0 109.913 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -50.26 -44.98 53.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.171 -0.611 . . . . 1.0 110.063 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.66 -45.22 94.98 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 119.884 -0.727 . . . . 1.0 109.915 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.482 ' HB1' ' CD2' ' A' ' 29' ' ' LEU . . . -62.17 -31.68 72.22 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.437 -0.505 . . . . 1.0 110.962 -179.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -68.56 -54.83 14.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.676 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -60.97 -35.64 77.32 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.836 -0.746 . . . . 1.0 109.866 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 25' ' ' TYR . 21.4 mt -59.97 -47.48 85.62 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.098 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HB2' HD11 ' A' ' 29' ' ' LEU . 26.4 ttpt -71.13 -22.86 62.01 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.058 -0.974 . . . . 1.0 111.449 178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -68.27 -56.65 7.9 Favored 'General case' 0 C--O 1.246 0.873 0 N-CA-C 112.823 0.675 . . . . 1.0 112.823 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.599 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 8.0 p90 -76.37 -30.29 57.5 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.519 -0.872 . . . . 1.0 109.56 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.0 mt -58.67 -48.13 82.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.6 ttt85 . . . . . 0 N--CA 1.446 -0.672 0 C-N-CA 120.635 -0.426 . . . . 1.0 109.906 179.21 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 86.3 mt . . . . . 0 CA--C 1.514 -0.433 0 N-CA-C 110.133 -0.321 . . . . 1.0 110.133 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -120.2 103.68 9.45 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-N 115.911 -0.586 . . . . 1.0 109.932 179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 10.8 mt -94.64 162.29 26.13 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.229 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -87.24 161.86 8.46 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.864 1.71 . . . . 1.0 112.052 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -107.32 125.01 50.62 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.96 179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.435 ' H ' HG22 ' B' ' 173' ' ' VAL . 0.0 OUTLIER -54.07 136.83 57.69 Favored Pre-proline 0 CA--C 1.542 0.66 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.024 -179.147 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.461 ' HD3' HG22 ' A' ' 17' ' ' THR . 74.5 Cg_endo -73.18 155.44 51.89 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 122.178 1.919 . . . . 1.0 111.6 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 33.0 p -130.93 85.26 2.26 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -86.42 171.86 9.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.448 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -70.62 43.58 0.45 Allowed 'Trans proline' 0 N--CA 1.498 1.781 0 C-N-CA 122.002 1.801 . . . . 1.0 111.637 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.639 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.4 OUTLIER -96.82 148.85 35.03 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.023 -179.065 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo . . . . . 0 N--CA 1.497 1.692 0 C-N-CA 121.983 1.788 . . . . 1.0 112.097 -179.29 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.819 0.342 . . . . 1.0 110.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 m -56.8 154.85 8.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.9 m -61.22 -48.17 82.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.05 0.453 . . . . 1.0 110.368 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.64 -41.93 87.51 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.799 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -57.03 -44.94 83.4 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.984 -0.553 . . . . 1.0 109.7 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -63.5 -39.18 93.75 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.47 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -59.28 -43.02 92.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 119.855 -0.738 . . . . 1.0 110.259 -178.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' O ' HG12 ' A' ' 13' ' ' VAL . 89.5 mt -65.96 -41.19 89.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.973 0.892 . . . . 1.0 109.982 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -60.81 -45.88 92.71 Favored 'General case' 0 C--N 1.306 -1.302 0 O-C-N 121.278 -0.889 . . . . 1.0 110.36 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.2 mt -64.63 -43.11 94.77 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.24 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 10' ' ' ILE . 2.0 p -66.78 -39.56 83.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.845 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -58.52 -47.95 82.47 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 115.809 -0.632 . . . . 1.0 109.565 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB3' HD23 ' A' ' 31' ' ' LEU . 20.1 ttpt -63.13 -38.25 90.43 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 119.321 -0.951 . . . . 1.0 109.079 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 31' ' ' LEU . . . -54.05 -43.96 70.64 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 HG22 ' HD3' ' B' ' 174' ' ' PRO . 82.0 p -63.79 -38.86 92.66 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.176 -0.61 . . . . 1.0 110.795 -178.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.15 -39.75 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.456 -0.898 . . . . 1.0 110.17 178.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -68.91 -42.53 76.72 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 1.0 110.671 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -56.11 -42.34 76.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.463 ' C ' ' H ' ' A' ' 23' ' ' LYS . 20.9 mttt -65.25 -39.87 93.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 1.0 109.681 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.12 11.73 0.67 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.793 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 21' ' ' LYS . 42.6 mmtm 65.07 26.93 12.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.205 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.22 66.96 1.83 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.19 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.615 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.9 m-85 -55.91 -40.91 73.76 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.583 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HB3' HH12 ' A' ' 30' ' ' ARG . 64.7 mt-10 -61.51 -53.23 59.06 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.549 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -65.35 -46.9 78.37 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.24 -0.584 . . . . 1.0 109.864 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.82 -44.72 78.15 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.202 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.1 tp -58.32 -46.51 86.04 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.976 -0.29 . . . . 1.0 110.845 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.405 HH12 ' HB3' ' A' ' 26' ' ' GLU . 83.0 mtt85 -57.17 -47.74 80.47 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 119.565 -0.854 . . . . 1.0 110.573 -179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . 3.3 mp -62.97 -39.52 94.95 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 120.618 0.246 . . . . 1.0 111.503 179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -60.31 -50.17 74.67 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.802 -0.759 . . . . 1.0 110.682 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -62.86 -42.99 99.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.569 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -63.31 -50.69 69.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.192 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -50.16 57.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.221 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.59 HG21 ' HG ' ' A' ' 64' ' ' LEU . 47.5 t -57.43 -44.15 84.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.426 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -54.78 -49.73 70.21 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.972 0.415 . . . . 1.0 110.691 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.09 -38.42 90.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.635 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 16.9 m-85 -61.11 -47.61 85.5 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.04 0.448 . . . . 1.0 110.267 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.0 mt -63.79 -39.48 94.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.428 0.632 . . . . 1.0 109.658 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.614 ' CE1' ' CG ' ' A' ' 45' ' ' TYR . 34.3 t-80 -69.42 -22.8 63.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.097 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 46' ' ' GLU . . . -74.88 -47.46 29.94 Favored 'General case' 0 C--N 1.316 -0.848 0 C-N-CA 119.957 -0.697 . . . . 1.0 111.334 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 53' ' ' LYS . 13.3 pt -66.1 -31.84 55.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 120.136 -0.626 . . . . 1.0 111.705 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.54 -47.21 14.55 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 112.777 0.658 . . . . 1.0 112.777 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.614 ' CG ' ' CE1' ' A' ' 41' ' ' HIS . 47.4 m-85 -94.95 -16.09 23.07 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.91 -177.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.551 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 41.7 mm-40 -124.31 36.23 4.66 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 121.254 -0.178 . . . . 1.0 110.622 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.499 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . -20.47 129.63 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 O-C-N 123.974 0.796 . . . . 1.0 110.686 179.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.853 ' H ' ' HZ2' ' A' ' 53' ' ' LYS . 28.3 m-70 -122.49 -143.71 0.33 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.089 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.468 ' H ' ' HB3' ' A' ' 48' ' ' HIS . 4.4 m -94.91 150.67 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -48.85 -40.31 28.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.109 0.481 . . . . 1.0 110.541 -179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -64.0 -41.58 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.656 -0.702 . . . . 1.0 109.931 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 56' ' ' ILE . . . -62.42 -54.91 33.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.289 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.853 ' HZ2' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -49.08 -52.29 26.63 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.261 -179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -52.62 -42.04 64.24 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 119.798 -0.761 . . . . 1.0 109.751 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 34.2 t -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.911 -0.716 . . . . 1.0 110.894 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 10.5 mm -66.45 -45.2 89.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 120.731 -0.387 . . . . 1.0 110.647 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -59.88 -58.26 9.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.054 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -50.61 -52.9 35.15 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.59 -179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -62.42 -40.53 96.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.972 -0.558 . . . . 1.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.465 ' SG ' ' O ' ' A' ' 56' ' ' ILE . 16.6 m -52.82 -40.46 63.31 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.78 -48.31 82.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.342 -0.543 . . . . 1.0 110.286 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -53.91 -46.52 71.47 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.579 -0.449 . . . . 1.0 110.333 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.416 ' CE1' HG21 ' A' ' 13' ' ' VAL . 26.1 m-85 -63.13 -48.51 78.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.476 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.59 ' HG ' HG21 ' A' ' 36' ' ' VAL . 8.0 mt -60.09 -49.15 78.79 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 119.461 -0.896 . . . . 1.0 110.328 -179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -50.67 -45.12 57.91 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 120.502 -0.479 . . . . 1.0 110.196 -179.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -61.48 -43.89 98.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 119.784 -0.767 . . . . 1.0 109.549 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -35.95 78.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.635 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -65.23 -54.78 24.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.561 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -36.6 80.39 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.953 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.25 -48.94 79.14 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 121.351 0.596 . . . . 1.0 110.138 -178.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 ttpp -70.97 -22.78 62.15 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 114.895 -1.048 . . . . 1.0 111.505 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -67.91 -56.33 9.45 Favored 'General case' 0 C--O 1.225 -0.191 0 N-CA-C 112.857 0.688 . . . . 1.0 112.857 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 12.2 p90 -77.86 -27.91 49.92 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 118.876 -1.129 . . . . 1.0 109.46 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.5 mt -60.59 -49.43 77.55 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 119.266 -0.974 . . . . 1.0 109.681 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 . . . . . 0 N--CA 1.447 -0.614 0 C-N-CA 120.406 -0.518 . . . . 1.0 110.425 179.803 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.463 0.187 0 CA-C-O 121.404 0.621 . . . . 1.0 110.245 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . 0.47 ' C ' HD22 ' B' ' 170' ' ' LEU . 80.4 tt0 -134.3 113.95 12.49 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-N 115.414 -0.812 . . . . 1.0 109.903 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . 0.588 HD11 ' CE1' ' A' ' 39' ' ' PHE . 3.3 mm? -108.32 153.67 41.83 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.388 -179.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -92.3 179.17 1.36 Allowed 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.548 1.498 . . . . 1.0 111.397 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -113.81 130.59 56.44 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.991 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . 0.418 HG22 ' H ' ' B' ' 173' ' ' VAL . 0.0 OUTLIER -65.25 137.57 96.88 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.794 -179.237 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.43 ' HD3' HG22 ' A' ' 17' ' ' THR . 72.5 Cg_endo -72.85 150.53 49.7 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.869 1.712 . . . . 1.0 112.112 179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 19.9 p -116.43 84.47 2.13 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.143 0.497 . . . . 1.0 109.993 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.14 169.99 12.52 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.623 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -87.31 84.32 0.9 Allowed 'Trans proline' 0 N--CA 1.498 1.79 0 C-N-CA 121.98 1.786 . . . . 1.0 110.841 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' B' ' 179' ' ' PRO . 25.6 mt -73.0 140.66 80.79 Favored Pre-proline 0 C--N 1.326 -0.446 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.7 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 178' ' ' LEU . 89.2 Cg_exo . . . . . 0 N--CA 1.497 1.697 0 C-N-CA 121.952 1.768 . . . . 1.0 112.601 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.9 m . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.933 0.396 . . . . 1.0 110.361 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -74.75 151.32 39.17 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.068 0.461 . . . . 1.0 110.499 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.0 m -61.65 -42.5 98.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.254 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 6' ' ' LEU . 35.1 tp -64.15 -43.76 94.22 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 120.272 -0.571 . . . . 1.0 110.781 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -55.07 -46.63 75.43 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.236 -0.654 . . . . 1.0 109.236 179.764 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -59.45 -40.66 87.57 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.949 -0.76 . . . . 1.0 108.949 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.686 ' HB1' ' CD2' ' A' ' 39' ' ' PHE . . . -56.9 -50.5 72.35 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.357 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.626 ' O ' HG12 ' A' ' 13' ' ' VAL . 92.8 mt -64.61 -42.78 96.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.471 0 CA-C-O 121.874 0.845 . . . . 1.0 109.723 179.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -59.66 -47.42 85.68 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.167 -0.958 . . . . 1.0 110.438 -178.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.6 mt -64.11 -42.92 96.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.268 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 10' ' ' ILE . 1.5 p -64.08 -38.33 82.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.385 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 17' ' ' THR . 71.2 m -58.84 -45.37 90.2 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 109.029 -0.73 . . . . 1.0 109.029 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -42.07 98.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 109.182 -0.673 . . . . 1.0 109.182 178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 31' ' ' LEU . . . -52.34 -45.39 65.64 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.325 -0.55 . . . . 1.0 110.757 -179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.447 HG22 ' HD3' ' B' ' 174' ' ' PRO . 81.9 p -63.69 -40.41 96.73 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.899 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -63.89 -41.41 97.72 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.131 -0.627 . . . . 1.0 109.927 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.549 ' OE1' ' ND2' ' A' ' 24' ' ' ASN . 69.6 mm-40 -67.69 -41.28 83.88 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.023 0.44 . . . . 1.0 110.489 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.87 -41.16 86.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.882 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -65.84 -39.97 91.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.707 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 5.84 3.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.649 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt 70.25 26.87 4.25 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.938 0.774 . . . . 1.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.549 ' ND2' ' OE1' ' A' ' 19' ' ' GLU . 1.6 m-20 -96.65 69.0 2.49 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.206 179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CG ' ' OH ' ' A' ' 73' ' ' TYR . 3.2 m-85 -56.89 -40.81 76.91 Favored 'General case' 0 C--N 1.316 -0.852 0 O-C-N 122.235 -0.291 . . . . 1.0 110.562 -179.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -61.61 -53.82 51.16 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.13 0.49 . . . . 1.0 110.814 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.452 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 4.5 tp10 -65.26 -50.25 66.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.093 -0.643 . . . . 1.0 110.057 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.05 -43.68 51.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.168 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 ' CD1' ' O ' ' A' ' 67' ' ' ALA . 11.0 tp -59.96 -43.03 95.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.719 0.295 . . . . 1.0 110.488 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' O ' ' ND1' ' A' ' 34' ' ' HIS . 96.1 mtt180 -58.54 -46.03 87.66 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 119.624 -0.831 . . . . 1.0 110.58 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 31' ' ' LEU . 3.2 mm? -66.13 -39.28 89.75 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.684 -0.406 . . . . 1.0 111.665 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -60.54 -50.36 73.85 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 119.695 -0.802 . . . . 1.0 110.543 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -62.99 -41.35 99.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.538 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 30' ' ' ARG . 19.7 m80 -64.45 -51.6 62.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.82 179.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.01 -50.09 62.07 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.633 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 64' ' ' LEU . 55.1 t -57.55 -44.0 84.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.487 -178.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -54.16 -49.86 68.32 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.74 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -63.87 -37.88 89.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.104 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.686 ' CD2' ' HB1' ' A' ' 9' ' ' ALA . 11.5 m-85 -61.58 -49.2 77.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.012 0.434 . . . . 1.0 110.673 -179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.59 -38.89 91.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.45 0.643 . . . . 1.0 109.782 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.627 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 20.4 t60 -65.61 -35.72 81.64 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.265 179.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' O ' ' HB2' ' A' ' 46' ' ' GLU . . . -65.1 -46.51 80.75 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.486 0.66 . . . . 1.0 111.835 -179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.414 HG12 ' H ' ' A' ' 43' ' ' ILE . 10.0 pt -65.28 -34.33 69.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 C-N-CA 119.549 -0.86 . . . . 1.0 111.509 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -82.16 -47.53 12.41 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.636 0.606 . . . . 1.0 112.636 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.627 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 38.6 m-85 -90.41 -17.07 27.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.584 -0.735 . . . . 1.0 111.956 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HB2' ' O ' ' A' ' 42' ' ' ALA . 88.8 mt-10 -121.97 136.94 54.96 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 109.207 -0.664 . . . . 1.0 109.207 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 48' ' ' HIS . . . -85.5 144.53 27.89 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.581 -178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 91.4 m-70 -160.12 156.86 27.45 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.63 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 m -58.18 155.82 10.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.39 . . . . 1.0 110.466 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -57.53 -30.08 64.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.53 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 59.1 mttp -68.05 -41.52 81.91 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.951 0.881 . . . . 1.0 109.928 179.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.963 ' HB1' HD12 ' B' ' 168' ' ' ILE . . . -68.9 -45.15 71.65 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.626 -0.715 . . . . 1.0 109.612 179.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' HE3' ' H ' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -58.52 -55.02 40.38 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.759 -0.377 . . . . 1.0 111.721 -178.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 17.0 pt-20 -54.78 -36.35 64.8 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.132 -179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 44.0 t -61.08 -42.26 98.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.081 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 52' ' ' ALA . 15.5 mm -65.09 -47.25 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 C-N-CA 120.394 -0.522 . . . . 1.0 111.002 -178.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 27.5 mtp180 -56.42 -57.24 13.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.169 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -52.69 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.704 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -59.88 -42.94 94.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.845 -179.128 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.86 -41.31 64.16 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.46 -0.791 . . . . 1.0 109.559 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.49 -49.17 81.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.929 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -55.27 -46.54 76.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.483 -179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CZ ' HG21 ' A' ' 13' ' ' VAL . 27.7 m-85 -63.13 -50.46 70.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.728 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 36' ' ' VAL . 7.7 mt -59.91 -47.56 85.26 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 119.833 -0.747 . . . . 1.0 110.535 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -52.21 -47.2 65.74 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.421 -0.511 . . . . 1.0 110.268 -179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -59.86 -44.44 94.13 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.75 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' O ' ' CD1' ' A' ' 29' ' ' LEU . . . -62.43 -38.88 91.43 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.545 -179.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.62 -54.59 43.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.425 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -60.97 -34.76 75.28 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.075 -0.65 . . . . 1.0 110.039 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.97 -47.72 85.14 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 121.2 0.524 . . . . 1.0 110.119 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -69.5 -26.52 64.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.184 -0.916 . . . . 1.0 110.597 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -63.66 -55.91 19.84 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.874 0.694 . . . . 1.0 112.874 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.622 ' OH ' ' CG ' ' A' ' 25' ' ' TYR . 9.1 p90 -77.9 -30.45 50.68 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 119.437 -0.905 . . . . 1.0 110.448 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 25' ' ' TYR . 15.3 mt -59.79 -49.92 75.83 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 . . . . . 0 N--CA 1.446 -0.643 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 179.434 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 168' ' ' ILE . . . . . 0.963 HD12 ' HB1' ' A' ' 52' ' ' ALA . 13.0 mt . . . . . 0 CA--C 1.518 -0.265 0 CA-C-O 120.924 0.392 . . . . 1.0 110.059 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 169' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -130.94 102.05 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.949 178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 170' ' ' LEU . . . . . . . . . . . . . 22.6 mt -88.27 164.98 30.93 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.815 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 171' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -89.06 168.71 5.36 Favored 'Trans proline' 0 N--CA 1.498 1.748 0 C-N-CA 122.099 1.866 . . . . 1.0 111.808 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 172' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -101.02 147.88 25.69 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.525 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 173' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.91 135.85 44.92 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.92 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 174' ' ' PRO . . . . . 0.447 ' HD3' HG22 ' A' ' 17' ' ' THR . 71.4 Cg_endo -72.41 153.45 55.62 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 121.953 1.769 . . . . 1.0 111.943 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 85.86 2.44 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.789 -0.449 . . . . 1.0 109.789 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -86.19 165.63 32.85 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.923 -179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 177' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -72.61 68.76 3.62 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 121.837 1.692 . . . . 1.0 111.829 178.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 178' ' ' LEU . . . . . 0.618 ' O ' HD12 ' B' ' 178' ' ' LEU . 0.3 OUTLIER -122.24 147.67 50.14 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 110.075 -0.342 . . . . 1.0 110.075 -179.278 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 179' ' ' PRO . . . . . 0.432 ' C ' ' O ' ' B' ' 178' ' ' LEU . 74.9 Cg_exo . . . . . 0 N--CA 1.493 1.459 0 C-N-CA 122.294 1.996 . . . . 1.0 112.501 -179.867 . . . . . . . . 1 1 . 1 stop_ save_