data_2m8o_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 2m8o _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -75.2 -0.96 21.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.841 1.256 . . . . 0.0 113.65 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.63 -33.49 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.448 -1.407 . . . . 0.0 113.077 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -65.8 -34.78 78.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.582 1.153 . . . . 0.0 112.709 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -69.58 -40.16 76.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.371 1.469 . . . . 0.0 110.482 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -74.2 -28.73 61.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.56 84.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.087 0.955 . . . . 0.0 111.848 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.7 p -71.64 -27.91 63.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.48 -56.2 12.06 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.191 0.996 . . . . 0.0 111.528 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -67.2 -33.3 75.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.408 1.004 . . . . 0.0 111.642 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -63.77 -29.37 70.59 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.267 -0.896 . . . . 0.0 113.122 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.37 -37.49 70.13 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.803 1.183 . . . . 0.0 112.675 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.96 -22.89 41.66 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.42 1.009 . . . . 0.0 113.161 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.32 -51.09 12.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.19 0.996 . . . . 0.0 111.54 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.69 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -27.65 59.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.507 -1.37 . . . . 0.0 111.748 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.53 -33.57 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.24 -0.886 . . . . 0.0 112.042 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -67.26 -59.61 3.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.919 1.688 . . . . 0.0 111.553 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -48.21 73.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.243 1.017 . . . . 0.0 111.969 175.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -62.51 -37.38 85.84 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.949 0.795 . . . . 0.0 112.783 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.55 -49.73 76.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 112.499 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -72.5 -27.69 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.687 1.595 . . . . 0.0 114.398 174.342 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.23 -3.1 34.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.855 1.662 . . . . 0.0 113.046 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.1 -38.05 23.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.271 -1.518 . . . . 0.0 113.207 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -65.07 -35.83 82.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.961 0.904 . . . . 0.0 112.657 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -66.09 -46.54 77.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.444 1.498 . . . . 0.0 109.826 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.67 -30.28 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.68 81.32 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 111.542 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.89 63.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.33 -55.72 22.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.037 0.935 . . . . 0.0 111.698 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -69.34 -32.75 72.04 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.402 1.001 . . . . 0.0 111.674 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -63.73 -29.1 70.36 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.224 -0.923 . . . . 0.0 113.054 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -56.38 -37.61 70.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.747 1.158 . . . . 0.0 112.4 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -56.95 -22.71 39.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 113.043 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -76.37 -50.97 12.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.283 1.033 . . . . 0.0 111.586 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -22.88 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -27.85 59.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.393 -1.442 . . . . 0.0 111.859 175.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.2 -33.42 73.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.814 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -66.54 -60.02 3.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.952 1.701 . . . . 0.0 111.535 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -49.79 68.27 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.097 0.959 . . . . 0.0 111.945 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -61.59 -36.6 81.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.24 65.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.419 1.088 . . . . 0.0 112.046 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.5 pt -70.68 -24.52 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.027 1.731 . . . . 0.0 113.526 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 120.7 0.286 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -74.72 0.14 16.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.705 1.602 . . . . 0.0 114.285 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -52.61 -34.14 49.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.437 1.471 . . . . 0.0 112.8 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.29 -38.82 92.39 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.565 1.146 . . . . 0.0 113.103 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.38 -47.96 74.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.205 1.402 . . . . 0.0 110.369 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -68.67 -30.39 69.06 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.75 87.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.113 0.965 . . . . 0.0 111.884 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.54 -29.06 63.25 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.89 -54.95 17.15 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.389 1.076 . . . . 0.0 111.527 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -65.35 -34.28 77.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.255 0.934 . . . . 0.0 111.662 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.85 -28.52 70.08 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.236 -0.915 . . . . 0.0 113.073 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -57.28 -37.87 73.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.969 1.258 . . . . 0.0 112.77 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.12 -23.71 49.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.582 1.083 . . . . 0.0 113.129 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -76.41 -50.99 12.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.977 0.911 . . . . 0.0 111.571 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tt -77.48 -22.13 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -27.89 62.46 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.229 -1.544 . . . . 0.0 112.149 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -68.42 -32.15 71.99 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.024 175.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -67.6 -59.37 3.4 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.742 1.617 . . . . 0.0 111.528 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -48.17 74.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.203 1.001 . . . . 0.0 112.049 175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -62.21 -36.85 83.22 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.053 0.842 . . . . 0.0 112.75 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -60.53 -49.98 75.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.525 1.13 . . . . 0.0 112.57 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -73.31 -23.14 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.816 1.646 . . . . 0.0 113.792 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.15 0.68 1.85 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.802 -1.186 . . . . 0.0 113.545 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 mt -49.73 -37.44 29.36 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.547 -1.346 . . . . 0.0 112.75 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -65.69 -36.69 84.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.419 1.088 . . . . 0.0 112.862 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.03 -47.06 72.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.712 1.605 . . . . 0.0 110.051 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.42 -29.3 67.0 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.88 77.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.051 0.941 . . . . 0.0 111.435 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -71.42 -27.34 63.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.23 -55.53 20.95 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.556 1.071 . . . . 0.0 111.59 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.53 -32.9 72.0 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.297 0.953 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -63.55 -29.12 70.43 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.206 -0.934 . . . . 0.0 113.199 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -56.03 -37.53 69.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.703 1.138 . . . . 0.0 112.682 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.13 -23.07 44.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.454 1.025 . . . . 0.0 113.041 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -50.89 13.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.142 0.977 . . . . 0.0 111.216 175.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.38 -23.33 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -27.59 56.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.401 -1.437 . . . . 0.0 112.049 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.93 -37.16 81.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.608 0.763 . . . . 0.0 111.312 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -63.91 -60.0 3.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.26 1.824 . . . . 0.0 111.957 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -50.24 68.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.775 0.83 . . . . 0.0 111.826 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -61.12 -35.67 77.67 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.072 0.851 . . . . 0.0 113.007 175.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.62 -50.64 71.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.662 1.185 . . . . 0.0 112.303 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -72.6 -28.38 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.255 1.822 . . . . 0.0 114.025 179.47 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.511 0.196 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.01 -0.76 32.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.973 1.309 . . . . 0.0 113.328 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.37 -37.71 25.87 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.577 -1.327 . . . . 0.0 112.997 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -63.44 -37.21 86.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.073 0.851 . . . . 0.0 112.96 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.27 88.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.543 1.137 . . . . 0.0 109.567 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -71.9 -29.44 64.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.86 81.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.334 1.054 . . . . 0.0 111.276 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -28.8 61.09 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.67 -56.29 16.88 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.113 0.965 . . . . 0.0 111.56 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -67.87 -32.67 73.34 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.263 0.938 . . . . 0.0 111.575 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.52 -30.69 71.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.219 -0.926 . . . . 0.0 112.923 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.06 -36.5 68.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.493 1.042 . . . . 0.0 112.687 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -57.75 -22.7 48.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.119 0.872 . . . . 0.0 112.954 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -76.41 -50.9 12.95 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.213 -0.929 . . . . 0.0 111.581 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -22.74 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.17 -29.65 61.13 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.31 -1.494 . . . . 0.0 111.775 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -67.96 -31.39 71.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.211 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -67.96 -60.04 2.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.614 1.566 . . . . 0.0 111.439 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -49.46 70.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.019 0.928 . . . . 0.0 112.041 175.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -62.92 -32.58 73.9 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.85 -51.91 62.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.23 1.012 . . . . 0.0 111.9 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 pt -71.29 -30.38 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.254 1.422 . . . . 0.0 114.432 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.02 -0.44 21.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.125 1.77 . . . . 0.0 113.371 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.08 -33.26 51.32 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.649 1.568 . . . . 0.0 112.889 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.6 -36.45 83.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.088 0.955 . . . . 0.0 112.937 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -47.9 70.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.707 1.603 . . . . 0.0 109.629 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.04 -29.98 68.24 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.22 78.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.306 1.042 . . . . 0.0 111.739 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 t -72.42 -31.54 65.59 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.78 -56.1 20.57 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.039 0.936 . . . . 0.0 111.909 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.27 -32.73 73.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.339 0.972 . . . . 0.0 111.784 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -63.61 -29.93 71.11 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.222 -0.924 . . . . 0.0 113.062 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.76 -37.03 67.98 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.602 1.092 . . . . 0.0 112.69 175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.41 -22.52 43.59 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.41 1.004 . . . . 0.0 112.982 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.46 -50.88 12.93 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.059 0.944 . . . . 0.0 111.059 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -22.87 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.55 -29.81 59.64 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.36 -1.463 . . . . 0.0 111.719 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -66.3 -38.25 87.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.819 0.848 . . . . 0.0 111.424 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -63.34 -60.08 3.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.794 1.638 . . . . 0.0 111.794 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -50.71 68.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.717 0.807 . . . . 0.0 112.055 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -59.43 -36.82 76.63 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.432 1.015 . . . . 0.0 113.526 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.27 -49.96 74.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.797 1.239 . . . . 0.0 112.367 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -74.09 -25.49 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.411 1.884 . . . . 0.0 114.087 173.068 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.484 0.183 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.52 -1.81 22.99 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.935 1.294 . . . . 0.0 113.424 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.16 -36.16 29.06 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.581 -1.324 . . . . 0.0 113.06 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.89 -37.04 86.3 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.643 1.177 . . . . 0.0 112.801 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -43.67 85.98 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.342 1.457 . . . . 0.0 109.93 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -71.22 -29.77 65.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.32 81.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.248 1.019 . . . . 0.0 111.384 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -28.29 63.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.94 -55.54 21.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.512 1.051 . . . . 0.0 111.64 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.62 -32.84 71.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.975 . . . . 0.0 111.862 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -63.76 -29.02 70.28 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.186 -0.946 . . . . 0.0 113.115 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.06 -37.25 69.04 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.766 1.166 . . . . 0.0 112.536 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -57.41 -22.62 44.27 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.426 1.012 . . . . 0.0 113.099 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -76.5 -50.81 13.05 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.902 0.881 . . . . 0.0 111.25 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.17 -23.12 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -26.99 58.34 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.457 -1.402 . . . . 0.0 111.986 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.27 -33.83 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.874 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -66.86 -59.63 3.36 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.079 1.752 . . . . 0.0 111.425 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.72 66.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.978 0.911 . . . . 0.0 111.767 175.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.61 -35.99 77.5 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.2 -50.93 71.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.274 1.03 . . . . 0.0 112.163 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -72.49 -28.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mttm . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.817 1.647 . . . . 0.0 113.368 176.55 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.38 0.74 21.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.752 1.621 . . . . 0.0 113.557 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.72 -35.81 56.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.425 1.466 . . . . 0.0 112.42 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.2 -37.47 87.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.96 0.904 . . . . 0.0 113.237 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -45.41 86.42 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.597 1.159 . . . . 0.0 110.046 174.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -73.1 -29.59 63.03 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.85 78.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.512 1.125 . . . . 0.0 111.452 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -74.44 -30.13 61.77 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.11 -56.22 18.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 111.781 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -68.54 -32.01 71.63 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.362 0.983 . . . . 0.0 111.632 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.14 -31.13 72.19 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.249 -0.907 . . . . 0.0 113.116 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.34 -36.65 66.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.211 0.914 . . . . 0.0 112.848 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -58.06 -22.15 48.89 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.364 0.983 . . . . 0.0 113.067 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.69 -51.27 11.81 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.124 0.97 . . . . 0.0 111.036 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.7 -23.67 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -55.66 -29.2 58.9 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.396 -1.44 . . . . 0.0 111.7 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.5 -39.0 88.46 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.925 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -61.88 -60.84 3.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.367 1.867 . . . . 0.0 112.06 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -49.91 68.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.201 1.0 . . . . 0.0 111.759 176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.35 -35.23 78.47 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 118.937 0.79 . . . . 0.0 112.827 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.92 -52.72 62.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.862 1.265 . . . . 0.0 111.645 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -70.2 -27.7 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.751 1.62 . . . . 0.0 113.08 175.597 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.498 0.189 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -74.8 0.16 16.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.4 mt -51.75 -36.8 48.63 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.407 1.458 . . . . 0.0 113.075 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.9 -39.15 90.98 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.935 0.894 . . . . 0.0 113.103 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -43.52 91.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.455 1.502 . . . . 0.0 110.912 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -72.44 -28.84 63.2 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.92 86.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 111.254 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -31.97 71.69 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.97 -55.93 16.21 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.156 0.982 . . . . 0.0 111.684 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -67.68 -33.14 74.32 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.3 0.955 . . . . 0.0 111.587 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -63.56 -29.96 71.15 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.117 -0.989 . . . . 0.0 113.094 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.82 -37.38 68.6 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.689 1.131 . . . . 0.0 112.768 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -56.99 -22.98 42.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.42 1.009 . . . . 0.0 113.124 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -76.23 -50.82 13.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.089 0.955 . . . . 0.0 111.595 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.53 -23.29 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -28.61 58.77 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.465 -1.397 . . . . 0.0 111.754 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.9 -31.01 69.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.052 0.941 . . . . 0.0 112.773 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.74 -59.37 2.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.221 1.808 . . . . 0.0 111.664 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -50.7 66.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.837 0.855 . . . . 0.0 111.705 175.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -60.95 -35.45 76.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.102 0.865 . . . . 0.0 113.118 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.64 64.28 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.096 -1.003 . . . . 0.0 111.797 175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.6 pt -71.49 -27.52 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mttm . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.085 1.754 . . . . 0.0 112.597 -179.085 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.688 0.28 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.97 -1.36 19.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.248 1.419 . . . . 0.0 113.705 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -51.1 -36.37 40.03 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.256 1.389 . . . . 0.0 112.89 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.9 -41.0 97.39 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.334 1.054 . . . . 0.0 113.011 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -45.48 90.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.263 1.425 . . . . 0.0 110.43 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -71.25 -28.92 64.52 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.01 72.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.415 1.086 . . . . 0.0 110.929 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -67.79 -28.44 67.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.21 -55.25 22.97 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.644 1.111 . . . . 0.0 111.429 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -69.15 -32.9 72.57 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.292 0.951 . . . . 0.0 111.818 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.45 -30.86 71.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.307 -0.871 . . . . 0.0 113.284 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -55.48 -37.79 68.25 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.555 1.07 . . . . 0.0 112.811 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -56.96 -23.06 42.91 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.39 0.995 . . . . 0.0 113.041 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.45 -51.02 12.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.224 1.009 . . . . 0.0 111.424 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.19 -22.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -56.29 -29.04 60.65 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.384 -1.448 . . . . 0.0 111.865 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -68.7 -32.09 71.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.332 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.57 -59.69 3.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.61 1.564 . . . . 0.0 111.401 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -50.71 66.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.933 0.893 . . . . 0.0 111.698 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -59.71 -36.52 76.7 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.213 0.915 . . . . 0.0 113.396 174.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.51 -48.6 80.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.999 0.92 . . . . 0.0 112.494 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -75.46 -25.25 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.086 1.754 . . . . 0.0 113.762 173.327 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.44 -0.9 21.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.956 1.302 . . . . 0.0 113.822 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.16 -35.42 35.83 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 112.474 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.13 -39.04 93.53 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.458 1.503 . . . . 0.0 112.821 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -44.88 85.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.575 1.55 . . . . 0.0 110.071 174.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.82 -29.44 66.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.46 81.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.074 0.949 . . . . 0.0 111.234 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -27.86 60.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.48 -55.54 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 111.543 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.93 -32.91 72.87 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.347 0.976 . . . . 0.0 111.405 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -30.56 71.65 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.224 -0.923 . . . . 0.0 112.609 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.48 -37.68 68.13 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.592 1.087 . . . . 0.0 112.601 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -56.71 -23.26 41.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.321 0.964 . . . . 0.0 112.959 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -76.38 -49.69 16.15 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.02 0.928 . . . . 0.0 112.166 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -22.7 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.39 -29.71 59.01 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.489 -1.382 . . . . 0.0 111.719 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.43 -33.25 73.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.74 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -66.89 -59.81 3.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.76 1.624 . . . . 0.0 111.646 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -49.72 69.24 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.739 0.816 . . . . 0.0 111.871 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.28 -35.85 78.43 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.6 -50.6 71.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.327 1.051 . . . . 0.0 112.199 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -73.09 -26.79 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mttm . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.416 1.887 . . . . 0.0 113.727 175.222 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -78.41 -1.39 33.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.816 1.646 . . . . 0.0 113.507 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.32 -36.63 21.73 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.364 -1.46 . . . . 0.0 113.193 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -65.19 -38.22 89.8 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.038 0.935 . . . . 0.0 112.633 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -64.57 -44.77 89.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.643 1.577 . . . . 0.0 110.159 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.22 -30.35 66.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.41 -44.52 80.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.184 0.994 . . . . 0.0 111.349 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -28.67 62.99 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.83 -55.43 23.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.323 0.965 . . . . 0.0 111.514 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -69.42 -32.09 70.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.248 0.931 . . . . 0.0 111.696 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.14 -30.84 71.91 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.232 -0.917 . . . . 0.0 113.065 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -55.2 -37.61 67.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.467 1.03 . . . . 0.0 112.703 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.41 -22.51 43.5 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.543 1.065 . . . . 0.0 113.094 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.48 -50.95 12.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.02 0.928 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -23.04 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -27.97 58.56 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.432 -1.417 . . . . 0.0 112.005 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -71.0 -32.76 69.66 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.039 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -65.61 -59.21 4.18 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.52 1.528 . . . . 0.0 111.23 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.61 68.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.427 0.691 . . . . 0.0 111.921 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -60.14 -37.11 79.1 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.0 -50.16 74.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.63 1.172 . . . . 0.0 112.45 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -73.49 -26.79 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mttp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.926 177.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 CA--C 1.539 0.557 0 CA-C-O 120.627 0.251 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -75.69 -0.1 19.61 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.551 1.54 . . . . 0.0 113.029 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.7 -36.9 48.49 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.277 -1.514 . . . . 0.0 112.825 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.4 -37.79 87.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.571 1.148 . . . . 0.0 113.131 175.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -46.67 78.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.365 1.466 . . . . 0.0 110.068 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -69.85 -29.56 66.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.01 82.95 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.229 1.012 . . . . 0.0 111.379 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -71.36 -31.36 67.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.26 -55.4 28.71 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.892 0.877 . . . . 0.0 111.831 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -70.01 -32.72 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.347 0.976 . . . . 0.0 111.79 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -63.03 -29.31 70.72 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.128 -0.983 . . . . 0.0 112.933 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -56.93 -37.13 71.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.641 1.109 . . . . 0.0 112.172 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -56.93 -22.86 40.96 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.16 0.891 . . . . 0.0 113.081 175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -76.53 -50.83 12.96 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.084 0.954 . . . . 0.0 111.391 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -23.13 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.5 -29.81 59.5 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.485 -1.385 . . . . 0.0 111.642 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -32.11 71.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.447 175.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -68.33 -59.14 3.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.517 1.527 . . . . 0.0 111.465 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.6 67.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.849 0.86 . . . . 0.0 111.685 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.65 -35.89 77.33 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.319 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.07 -51.76 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.056 0.943 . . . . 0.0 112.016 175.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.54 -28.66 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.427 1.491 . . . . 0.0 113.094 176.618 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.694 0.283 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.6 -2.57 20.46 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.54 1.936 . . . . 0.0 112.972 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.86 -35.6 33.44 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.348 -1.47 . . . . 0.0 113.214 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.89 -36.39 84.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.365 1.066 . . . . 0.0 112.74 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -44.89 81.21 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.626 1.57 . . . . 0.0 110.147 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -70.78 -29.56 65.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.02 78.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.973 0.909 . . . . 0.0 111.224 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -29.22 67.04 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.66 -55.07 22.43 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.978 0.911 . . . . 0.0 111.402 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -68.73 -32.63 72.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.252 0.933 . . . . 0.0 111.62 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.65 -31.12 71.93 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.245 -0.909 . . . . 0.0 113.012 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.5 -37.3 67.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.572 1.078 . . . . 0.0 113.066 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -57.38 -22.77 44.98 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.513 1.051 . . . . 0.0 113.092 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -50.78 13.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.346 1.058 . . . . 0.0 111.195 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.12 -22.36 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.64 -30.06 60.33 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.381 -1.449 . . . . 0.0 111.714 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -64.78 -38.51 91.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 111.565 174.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.29 -59.98 3.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.858 1.663 . . . . 0.0 111.682 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -50.65 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.81 0.844 . . . . 0.0 111.859 176.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -59.39 -37.16 77.25 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.383 0.992 . . . . 0.0 113.214 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.75 -48.99 79.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.418 1.087 . . . . 0.0 112.42 175.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.4 pt -75.04 -25.22 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mttm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.311 1.844 . . . . 0.0 114.056 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.6 1.52 14.18 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.58 1.152 . . . . 0.0 113.685 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.96 -35.04 44.87 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.007 1.73 . . . . 0.0 112.647 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.33 -36.17 83.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.237 1.015 . . . . 0.0 112.802 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -48.7 69.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.441 1.496 . . . . 0.0 109.341 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.33 -29.64 67.51 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.56 78.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.353 1.061 . . . . 0.0 111.369 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -28.86 65.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.14 -55.33 22.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.374 0.988 . . . . 0.0 111.43 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.11 -32.33 71.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.237 0.926 . . . . 0.0 111.632 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.84 -31.26 72.24 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.17 -37.6 67.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.437 1.017 . . . . 0.0 112.806 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.51 -22.27 43.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.44 1.018 . . . . 0.0 113.196 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -76.47 -50.88 12.93 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.98 0.912 . . . . 0.0 111.247 175.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.79 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -27.18 57.0 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.519 -1.363 . . . . 0.0 111.927 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -68.83 -34.28 75.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.893 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.43 -59.82 3.32 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.966 1.706 . . . . 0.0 111.299 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -50.73 65.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.258 1.023 . . . . 0.0 111.943 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.2 t90 -60.87 -34.99 75.47 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.49 -50.73 70.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.337 1.055 . . . . 0.0 111.917 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -72.89 -26.39 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.611 1.565 . . . . 0.0 113.033 174.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.94 -0.68 22.32 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.288 1.435 . . . . 0.0 113.745 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -52.77 -35.16 56.05 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.226 -1.546 . . . . 0.0 113.276 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.44 -35.88 80.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.351 1.061 . . . . 0.0 113.054 175.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.7 65.76 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 110.021 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -67.8 -29.04 68.12 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.63 79.45 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 111.496 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.8 -55.53 22.32 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.312 0.96 . . . . 0.0 111.643 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.77 -32.96 71.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.376 0.989 . . . . 0.0 111.735 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.55 -29.08 70.39 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.204 -0.935 . . . . 0.0 113.126 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -56.08 -37.91 69.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.673 1.124 . . . . 0.0 112.533 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -56.75 -23.29 41.81 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.41 1.005 . . . . 0.0 113.017 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.46 -50.92 12.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.954 0.901 . . . . 0.0 111.713 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -22.69 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.15 -27.96 62.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.426 -1.421 . . . . 0.0 112.04 176.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.93 -31.15 68.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.017 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.44 -60.0 2.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 111.451 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -50.68 65.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 175.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -60.53 -35.73 76.7 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.72 -51.06 69.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.01 0.924 . . . . 0.0 112.031 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 pt -72.32 -27.39 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mttm . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.161 1.784 . . . . 0.0 113.304 175.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.86 -1.96 21.72 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.919 1.688 . . . . 0.0 114.403 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -50.23 -35.49 26.97 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.284 -1.51 . . . . 0.0 113.521 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.058 0.845 . . . . 0.0 113.127 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -70.77 -45.91 63.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.716 1.607 . . . . 0.0 109.741 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -68.67 -29.55 68.04 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.27 75.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.341 1.056 . . . . 0.0 111.311 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -29.2 67.87 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 174.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.54 -55.65 19.13 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.429 1.013 . . . . 0.0 111.636 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -69.22 -33.14 72.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.331 0.968 . . . . 0.0 111.778 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -63.51 -28.75 70.17 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.232 -0.917 . . . . 0.0 113.114 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -56.33 -37.35 69.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.884 1.22 . . . . 0.0 112.791 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -57.57 -22.33 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.39 0.996 . . . . 0.0 113.078 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.49 -50.7 13.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.202 1.001 . . . . 0.0 111.205 174.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.22 -22.58 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -28.14 60.05 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.404 -1.435 . . . . 0.0 112.108 175.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -69.37 -32.36 71.35 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 112.04 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -67.23 -59.45 3.42 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.662 1.585 . . . . 0.0 111.471 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -49.3 70.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 111.885 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.49 -36.61 80.94 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.073 0.851 . . . . 0.0 113.076 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.19 -50.57 72.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 175.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -72.1 -22.16 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.449 1.9 . . . . 0.0 114.153 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.23 -0.77 17.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.213 1.805 . . . . 0.0 113.261 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.47 -35.24 28.09 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.537 -1.352 . . . . 0.0 113.227 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.53 -35.28 80.4 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.356 0.98 . . . . 0.0 112.766 175.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -45.1 77.42 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.25 1.42 . . . . 0.0 109.83 174.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -69.28 -30.52 68.64 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.94 76.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.165 0.986 . . . . 0.0 112.26 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.32 -29.36 47.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 174.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.01 -53.69 49.91 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.185 0.994 . . . . 0.0 111.816 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -69.0 -33.17 73.24 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.25 0.932 . . . . 0.0 111.848 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.03 -29.27 70.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.131 -0.981 . . . . 0.0 112.894 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.03 -37.64 69.47 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.69 1.132 . . . . 0.0 112.67 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.19 -22.68 42.44 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.408 1.004 . . . . 0.0 113.208 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -76.39 -51.77 11.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 111.08 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -22.82 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -56.07 -29.21 60.2 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.576 -1.328 . . . . 0.0 111.852 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -70.05 -30.61 67.92 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.501 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -67.66 -59.54 3.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.338 1.455 . . . . 0.0 111.339 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -51.29 64.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.051 0.94 . . . . 0.0 111.457 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -59.89 -35.59 75.17 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.52 -50.84 69.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.735 0.814 . . . . 0.0 111.666 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -72.64 -26.9 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mttm . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.906 1.683 . . . . 0.0 112.771 175.764 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -67.99 0.75 3.22 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.089 1.355 . . . . 0.0 113.494 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -48.99 -39.03 25.07 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.494 -1.379 . . . . 0.0 112.713 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.12 93.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.085 1.354 . . . . 0.0 113.107 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -46.96 79.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.774 1.629 . . . . 0.0 110.279 175.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -68.29 -28.9 67.58 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.8 81.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.955 0.902 . . . . 0.0 111.17 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 t -69.14 -31.98 71.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.571 0.748 . . . . 0.0 112.908 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.9 -54.57 40.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.267 0.94 . . . . 0.0 111.858 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.89 -32.23 70.46 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.259 0.936 . . . . 0.0 111.713 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.85 -30.89 71.85 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.282 -0.886 . . . . 0.0 112.98 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -55.63 -36.2 66.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.406 1.003 . . . . 0.0 113.067 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -58.61 -22.14 55.51 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.312 0.96 . . . . 0.0 112.907 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -76.45 -50.96 12.76 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.063 0.945 . . . . 0.0 110.902 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.85 -22.78 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.12 -29.62 60.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.425 -1.422 . . . . 0.0 111.84 175.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.32 -31.48 70.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.269 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -67.82 -59.7 3.09 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.528 1.531 . . . . 0.0 111.345 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.13 68.79 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.953 0.901 . . . . 0.0 111.87 175.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -60.68 -35.62 76.7 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.72 -51.32 68.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.044 0.937 . . . . 0.0 112.003 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -72.66 -26.79 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.775 1.63 . . . . 0.0 112.776 175.38 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 120.537 0.208 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -74.54 1.36 12.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.918 1.687 . . . . 0.0 114.049 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.3 -34.73 34.49 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.62 1.555 . . . . 0.0 112.431 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.27 -41.09 97.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.809 1.244 . . . . 0.0 112.965 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.3 -47.02 84.02 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.51 1.524 . . . . 0.0 110.206 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.82 -29.7 67.04 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.76 79.54 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.206 1.002 . . . . 0.0 111.957 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -76.45 -29.63 57.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.79 -54.06 41.11 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.217 1.007 . . . . 0.0 111.738 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -68.31 -33.16 73.82 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.268 0.94 . . . . 0.0 111.862 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -62.93 -28.86 70.36 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.249 -0.907 . . . . 0.0 112.964 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.46 -37.34 70.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.762 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.6 -22.85 47.65 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.474 1.034 . . . . 0.0 113.019 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.36 -50.53 13.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.145 0.978 . . . . 0.0 111.346 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.78 -22.58 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -29.78 60.11 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.355 -1.466 . . . . 0.0 111.761 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -65.41 -38.32 89.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.066 0.946 . . . . 0.0 111.473 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.06 -60.36 3.33 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.835 1.654 . . . . 0.0 111.626 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.29 72.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.024 . . . . 0.0 112.408 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -62.56 -37.11 84.88 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.07 0.85 . . . . 0.0 113.012 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.29 -50.41 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.681 1.193 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -73.87 -25.47 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.875 1.67 . . . . 0.0 113.166 176.76 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.9 t30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.78 -35.79 71.28 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 120.376 1.444 . . . . 0.0 114.122 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.51 -55.93 20.13 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.064 0.946 . . . . 0.0 111.549 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -61.26 -28.52 69.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -31.85 66.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.31 1.044 . . . . 0.0 113.314 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.12 -36.79 16.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.023 1.329 . . . . 0.0 112.055 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -75.2 -0.96 21.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.841 1.256 . . . . 0.0 113.65 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.63 -33.49 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.448 -1.407 . . . . 0.0 113.077 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -65.8 -34.78 78.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.582 1.153 . . . . 0.0 112.709 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -69.58 -40.16 76.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.371 1.469 . . . . 0.0 110.482 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -74.2 -28.73 61.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.56 84.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.087 0.955 . . . . 0.0 111.848 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.7 p -71.64 -27.91 63.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.48 -56.2 12.06 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.191 0.996 . . . . 0.0 111.528 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -67.2 -33.3 75.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.408 1.004 . . . . 0.0 111.642 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -63.77 -29.37 70.59 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.267 -0.896 . . . . 0.0 113.122 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.37 -37.49 70.13 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.803 1.183 . . . . 0.0 112.675 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.96 -22.89 41.66 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.42 1.009 . . . . 0.0 113.161 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.32 -51.09 12.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.19 0.996 . . . . 0.0 111.54 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.69 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -27.65 59.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.507 -1.37 . . . . 0.0 111.748 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.53 -33.57 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.24 -0.886 . . . . 0.0 112.042 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -67.26 -59.61 3.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.919 1.688 . . . . 0.0 111.553 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -48.21 73.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.243 1.017 . . . . 0.0 111.969 175.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -62.51 -37.38 85.84 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.949 0.795 . . . . 0.0 112.783 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.55 -49.73 76.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 112.499 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -72.5 -27.69 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.687 1.595 . . . . 0.0 114.398 174.342 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.39 -26.74 60.29 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 119.881 -1.762 . . . . 0.0 113.558 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -19.33 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.131 0.972 . . . . 0.0 113.002 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.24 -34.68 78.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.313 1.045 . . . . 0.0 111.582 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -60.91 -22.95 64.84 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.444 1.097 . . . . 0.0 112.939 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.31 -33.61 20.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.935 1.294 . . . . 0.0 111.489 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.23 -3.1 34.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.855 1.662 . . . . 0.0 113.046 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.1 -38.05 23.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.271 -1.518 . . . . 0.0 113.207 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -65.07 -35.83 82.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.961 0.904 . . . . 0.0 112.657 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -66.09 -46.54 77.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.444 1.498 . . . . 0.0 109.826 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.67 -30.28 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.68 81.32 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 111.542 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.89 63.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.33 -55.72 22.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.037 0.935 . . . . 0.0 111.698 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -69.34 -32.75 72.04 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.402 1.001 . . . . 0.0 111.674 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -63.73 -29.1 70.36 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.224 -0.923 . . . . 0.0 113.054 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -56.38 -37.61 70.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.747 1.158 . . . . 0.0 112.4 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -56.95 -22.71 39.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 113.043 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -76.37 -50.97 12.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.283 1.033 . . . . 0.0 111.586 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -22.88 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -27.85 59.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.393 -1.442 . . . . 0.0 111.859 175.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.2 -33.42 73.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.814 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -66.54 -60.02 3.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.952 1.701 . . . . 0.0 111.535 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -49.79 68.27 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.097 0.959 . . . . 0.0 111.945 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -61.59 -36.6 81.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.24 65.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.419 1.088 . . . . 0.0 112.046 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.5 pt -70.68 -24.52 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.027 1.731 . . . . 0.0 113.526 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 119.468 -0.301 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.01 -26.17 43.26 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.69 -1.256 . . . . 0.0 114.008 176.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -57.4 12.93 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.764 1.225 . . . . 0.0 111.442 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.77 -34.08 69.19 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.1 -23.37 67.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.31 1.444 . . . . 0.0 113.269 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -94.66 -35.38 12.21 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.386 1.474 . . . . 0.0 110.912 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -74.72 0.14 16.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.705 1.602 . . . . 0.0 114.285 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -52.61 -34.14 49.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.437 1.471 . . . . 0.0 112.8 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.29 -38.82 92.39 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.565 1.146 . . . . 0.0 113.103 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.38 -47.96 74.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.205 1.402 . . . . 0.0 110.369 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -68.67 -30.39 69.06 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.75 87.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.113 0.965 . . . . 0.0 111.884 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.54 -29.06 63.25 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.89 -54.95 17.15 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.389 1.076 . . . . 0.0 111.527 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -65.35 -34.28 77.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.255 0.934 . . . . 0.0 111.662 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.85 -28.52 70.08 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.236 -0.915 . . . . 0.0 113.073 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -57.28 -37.87 73.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.969 1.258 . . . . 0.0 112.77 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.12 -23.71 49.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.582 1.083 . . . . 0.0 113.129 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -76.41 -50.99 12.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.977 0.911 . . . . 0.0 111.571 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tt -77.48 -22.13 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -27.89 62.46 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.229 -1.544 . . . . 0.0 112.149 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -68.42 -32.15 71.99 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.024 175.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -67.6 -59.37 3.4 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.742 1.617 . . . . 0.0 111.528 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -48.17 74.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.203 1.001 . . . . 0.0 112.049 175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -62.21 -36.85 83.22 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.053 0.842 . . . . 0.0 112.75 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -60.53 -49.98 75.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.525 1.13 . . . . 0.0 112.57 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -73.31 -23.14 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.816 1.646 . . . . 0.0 113.792 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -49.98 56.89 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 119.958 -1.714 . . . . 0.0 111.436 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -56.23 -32.32 64.35 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.21 1.404 . . . . 0.0 113.589 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.26 -54.34 48.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.631 1.572 . . . . 0.0 112.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.65 -31.26 71.36 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.718 -0.614 . . . . 0.0 111.546 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.23 2.63 46.34 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.21 1.804 . . . . 0.0 113.9 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.15 0.68 1.85 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.802 -1.186 . . . . 0.0 113.545 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 mt -49.73 -37.44 29.36 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.547 -1.346 . . . . 0.0 112.75 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -65.69 -36.69 84.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.419 1.088 . . . . 0.0 112.862 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.03 -47.06 72.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.712 1.605 . . . . 0.0 110.051 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.42 -29.3 67.0 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.88 77.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.051 0.941 . . . . 0.0 111.435 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -71.42 -27.34 63.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.23 -55.53 20.95 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.556 1.071 . . . . 0.0 111.59 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.53 -32.9 72.0 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.297 0.953 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -63.55 -29.12 70.43 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.206 -0.934 . . . . 0.0 113.199 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -56.03 -37.53 69.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.703 1.138 . . . . 0.0 112.682 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.13 -23.07 44.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.454 1.025 . . . . 0.0 113.041 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -50.89 13.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.142 0.977 . . . . 0.0 111.216 175.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.38 -23.33 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -27.59 56.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.401 -1.437 . . . . 0.0 112.049 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.93 -37.16 81.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.608 0.763 . . . . 0.0 111.312 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -63.91 -60.0 3.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.26 1.824 . . . . 0.0 111.957 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -50.24 68.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.775 0.83 . . . . 0.0 111.826 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -61.12 -35.67 77.67 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.072 0.851 . . . . 0.0 113.007 175.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.62 -50.64 71.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.662 1.185 . . . . 0.0 112.303 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -72.6 -28.38 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.255 1.822 . . . . 0.0 114.025 179.47 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 119.975 -0.06 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -37.02 18.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.259 1.023 . . . . 0.0 112.56 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -59.26 -51.46 69.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.312 1.045 . . . . 0.0 112.107 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.16 -32.08 67.86 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.691 -0.631 . . . . 0.0 112.554 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.62 -26.19 67.83 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.27 1.428 . . . . 0.0 112.889 177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.81 -32.62 23.24 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.145 1.378 . . . . 0.0 111.117 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.01 -0.76 32.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.973 1.309 . . . . 0.0 113.328 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.37 -37.71 25.87 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.577 -1.327 . . . . 0.0 112.997 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -63.44 -37.21 86.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.073 0.851 . . . . 0.0 112.96 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.27 88.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.543 1.137 . . . . 0.0 109.567 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -71.9 -29.44 64.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.86 81.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.334 1.054 . . . . 0.0 111.276 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -28.8 61.09 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.67 -56.29 16.88 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.113 0.965 . . . . 0.0 111.56 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -67.87 -32.67 73.34 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.263 0.938 . . . . 0.0 111.575 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.52 -30.69 71.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.219 -0.926 . . . . 0.0 112.923 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.06 -36.5 68.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.493 1.042 . . . . 0.0 112.687 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -57.75 -22.7 48.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.119 0.872 . . . . 0.0 112.954 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -76.41 -50.9 12.95 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.213 -0.929 . . . . 0.0 111.581 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -22.74 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.17 -29.65 61.13 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.31 -1.494 . . . . 0.0 111.775 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -67.96 -31.39 71.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.211 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -67.96 -60.04 2.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.614 1.566 . . . . 0.0 111.439 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -49.46 70.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.019 0.928 . . . . 0.0 112.041 175.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -62.92 -32.58 73.9 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.85 -51.91 62.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.23 1.012 . . . . 0.0 111.9 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 pt -71.29 -30.38 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.254 1.422 . . . . 0.0 114.432 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 p30 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.356 -0.831 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.77 -38.82 57.09 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.61 1.55 . . . . 0.0 114.612 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -57.89 -45.91 85.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.832 1.253 . . . . 0.0 111.714 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.53 -37.5 77.12 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.677 -0.639 . . . . 0.0 112.369 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -22.81 53.66 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.588 1.155 . . . . 0.0 113.914 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.66 -36.26 11.28 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.341 1.856 . . . . 0.0 111.104 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.02 -0.44 21.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.125 1.77 . . . . 0.0 113.371 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.08 -33.26 51.32 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.649 1.568 . . . . 0.0 112.889 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.6 -36.45 83.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.088 0.955 . . . . 0.0 112.937 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -47.9 70.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.707 1.603 . . . . 0.0 109.629 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.04 -29.98 68.24 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.22 78.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.306 1.042 . . . . 0.0 111.739 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 t -72.42 -31.54 65.59 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.78 -56.1 20.57 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.039 0.936 . . . . 0.0 111.909 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.27 -32.73 73.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.339 0.972 . . . . 0.0 111.784 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -63.61 -29.93 71.11 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.222 -0.924 . . . . 0.0 113.062 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.76 -37.03 67.98 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.602 1.092 . . . . 0.0 112.69 175.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.41 -22.52 43.59 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.41 1.004 . . . . 0.0 112.982 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.46 -50.88 12.93 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.059 0.944 . . . . 0.0 111.059 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -22.87 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.55 -29.81 59.64 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.36 -1.463 . . . . 0.0 111.719 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -66.3 -38.25 87.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.819 0.848 . . . . 0.0 111.424 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -63.34 -60.08 3.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.794 1.638 . . . . 0.0 111.794 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -50.71 68.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.717 0.807 . . . . 0.0 112.055 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -59.43 -36.82 76.63 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.432 1.015 . . . . 0.0 113.526 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.27 -49.96 74.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.797 1.239 . . . . 0.0 112.367 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -74.09 -25.49 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.411 1.884 . . . . 0.0 114.087 173.068 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.61 -27.66 51.3 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.214 -1.554 . . . . 0.0 113.61 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.52 -47.79 68.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.326 1.05 . . . . 0.0 111.536 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.17 -33.22 65.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.338 1.055 . . . . 0.0 113.178 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.43 -29.15 69.77 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.277 1.431 . . . . 0.0 113.623 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -88.16 -35.26 17.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.664 1.186 . . . . 0.0 111.099 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.52 -1.81 22.99 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.935 1.294 . . . . 0.0 113.424 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.16 -36.16 29.06 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.581 -1.324 . . . . 0.0 113.06 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.89 -37.04 86.3 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.643 1.177 . . . . 0.0 112.801 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -43.67 85.98 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.342 1.457 . . . . 0.0 109.93 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -71.22 -29.77 65.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.32 81.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.248 1.019 . . . . 0.0 111.384 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -28.29 63.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.94 -55.54 21.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.512 1.051 . . . . 0.0 111.64 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.62 -32.84 71.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.975 . . . . 0.0 111.862 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -63.76 -29.02 70.28 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.186 -0.946 . . . . 0.0 113.115 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.06 -37.25 69.04 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.766 1.166 . . . . 0.0 112.536 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -57.41 -22.62 44.27 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.426 1.012 . . . . 0.0 113.099 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -76.5 -50.81 13.05 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.902 0.881 . . . . 0.0 111.25 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.17 -23.12 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -26.99 58.34 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.457 -1.402 . . . . 0.0 111.986 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.27 -33.83 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.874 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -66.86 -59.63 3.36 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.079 1.752 . . . . 0.0 111.425 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.72 66.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.978 0.911 . . . . 0.0 111.767 175.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.61 -35.99 77.5 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.2 -50.93 71.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.274 1.03 . . . . 0.0 112.163 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -72.49 -28.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mttm . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.817 1.647 . . . . 0.0 113.368 176.55 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -34.55 75.1 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 119.998 -1.689 . . . . 0.0 113.371 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.38 -42.98 87.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.988 0.915 . . . . 0.0 112.51 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -57.58 -36.15 71.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.592 -0.692 . . . . 0.0 112.055 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -20.08 28.55 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.486 1.514 . . . . 0.0 114.657 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.79 -34.69 9.73 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.898 1.679 . . . . 0.0 111.046 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.38 0.74 21.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.752 1.621 . . . . 0.0 113.557 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.72 -35.81 56.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.425 1.466 . . . . 0.0 112.42 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.2 -37.47 87.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.96 0.904 . . . . 0.0 113.237 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -45.41 86.42 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.597 1.159 . . . . 0.0 110.046 174.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -73.1 -29.59 63.03 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.85 78.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.512 1.125 . . . . 0.0 111.452 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -74.44 -30.13 61.77 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.11 -56.22 18.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 111.781 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -68.54 -32.01 71.63 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.362 0.983 . . . . 0.0 111.632 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.14 -31.13 72.19 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.249 -0.907 . . . . 0.0 113.116 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.34 -36.65 66.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.211 0.914 . . . . 0.0 112.848 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -58.06 -22.15 48.89 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.364 0.983 . . . . 0.0 113.067 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.69 -51.27 11.81 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.124 0.97 . . . . 0.0 111.036 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.7 -23.67 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -55.66 -29.2 58.9 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.396 -1.44 . . . . 0.0 111.7 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.5 -39.0 88.46 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.925 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -61.88 -60.84 3.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.367 1.867 . . . . 0.0 112.06 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -49.91 68.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.201 1.0 . . . . 0.0 111.759 176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.35 -35.23 78.47 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 118.937 0.79 . . . . 0.0 112.827 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.92 -52.72 62.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.862 1.265 . . . . 0.0 111.645 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -70.2 -27.7 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.751 1.62 . . . . 0.0 113.08 175.597 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -65.34 -32.11 73.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.34 1.427 . . . . 0.0 113.868 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -57.89 -58.85 6.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.009 1.323 . . . . 0.0 112.52 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.47 -32.59 72.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.658 -0.651 . . . . 0.0 112.438 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.12 -31.76 72.98 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.414 1.485 . . . . 0.0 112.433 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.8 -40.01 23.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.748 1.219 . . . . 0.0 111.08 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -74.8 0.16 16.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.4 mt -51.75 -36.8 48.63 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.407 1.458 . . . . 0.0 113.075 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.9 -39.15 90.98 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.935 0.894 . . . . 0.0 113.103 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -43.52 91.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.455 1.502 . . . . 0.0 110.912 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -72.44 -28.84 63.2 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.92 86.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 111.254 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -31.97 71.69 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.97 -55.93 16.21 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.156 0.982 . . . . 0.0 111.684 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -67.68 -33.14 74.32 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.3 0.955 . . . . 0.0 111.587 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -63.56 -29.96 71.15 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.117 -0.989 . . . . 0.0 113.094 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.82 -37.38 68.6 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.689 1.131 . . . . 0.0 112.768 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -56.99 -22.98 42.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.42 1.009 . . . . 0.0 113.124 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -76.23 -50.82 13.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.089 0.955 . . . . 0.0 111.595 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.53 -23.29 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -28.61 58.77 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.465 -1.397 . . . . 0.0 111.754 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.9 -31.01 69.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.052 0.941 . . . . 0.0 112.773 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.74 -59.37 2.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.221 1.808 . . . . 0.0 111.664 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -50.7 66.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.837 0.855 . . . . 0.0 111.705 175.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -60.95 -35.45 76.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.102 0.865 . . . . 0.0 113.118 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.64 64.28 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.096 -1.003 . . . . 0.0 111.797 175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.6 pt -71.49 -27.52 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mttm . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.085 1.754 . . . . 0.0 112.597 -179.085 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.2 m120 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -65.33 -36.59 84.49 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.348 -0.845 . . . . 0.0 112.67 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -30.9 71.69 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.2 -31.94 72.53 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.375 -0.828 . . . . 0.0 111.715 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -21.34 62.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.667 1.187 . . . . 0.0 113.74 176.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.09 -36.82 10.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.779 1.631 . . . . 0.0 111.072 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.97 -1.36 19.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.248 1.419 . . . . 0.0 113.705 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -51.1 -36.37 40.03 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.256 1.389 . . . . 0.0 112.89 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.9 -41.0 97.39 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.334 1.054 . . . . 0.0 113.011 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -45.48 90.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.263 1.425 . . . . 0.0 110.43 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -71.25 -28.92 64.52 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.01 72.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.415 1.086 . . . . 0.0 110.929 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -67.79 -28.44 67.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.21 -55.25 22.97 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.644 1.111 . . . . 0.0 111.429 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -69.15 -32.9 72.57 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.292 0.951 . . . . 0.0 111.818 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.45 -30.86 71.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.307 -0.871 . . . . 0.0 113.284 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -55.48 -37.79 68.25 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.555 1.07 . . . . 0.0 112.811 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -56.96 -23.06 42.91 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.39 0.995 . . . . 0.0 113.041 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.45 -51.02 12.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.224 1.009 . . . . 0.0 111.424 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.19 -22.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -56.29 -29.04 60.65 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.384 -1.448 . . . . 0.0 111.865 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -68.7 -32.09 71.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.332 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.57 -59.69 3.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.61 1.564 . . . . 0.0 111.401 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -50.71 66.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.933 0.893 . . . . 0.0 111.698 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -59.71 -36.52 76.7 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.213 0.915 . . . . 0.0 113.396 174.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.51 -48.6 80.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.999 0.92 . . . . 0.0 112.494 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -75.46 -25.25 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.086 1.754 . . . . 0.0 113.762 173.327 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.983 -0.055 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -77.93 -31.76 51.21 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.889 -1.132 . . . . 0.0 112.982 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -59.57 -50.87 72.21 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.416 1.086 . . . . 0.0 112.371 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.74 -30.33 68.76 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -31.02 68.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.656 1.583 . . . . 0.0 112.189 177.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.8 mt -89.59 -38.36 14.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.824 1.649 . . . . 0.0 112.112 174.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.44 -0.9 21.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.956 1.302 . . . . 0.0 113.822 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.16 -35.42 35.83 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 112.474 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.13 -39.04 93.53 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.458 1.503 . . . . 0.0 112.821 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -44.88 85.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.575 1.55 . . . . 0.0 110.071 174.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.82 -29.44 66.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.46 81.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.074 0.949 . . . . 0.0 111.234 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -27.86 60.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.48 -55.54 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 111.543 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.93 -32.91 72.87 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.347 0.976 . . . . 0.0 111.405 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -30.56 71.65 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.224 -0.923 . . . . 0.0 112.609 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.48 -37.68 68.13 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.592 1.087 . . . . 0.0 112.601 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -56.71 -23.26 41.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.321 0.964 . . . . 0.0 112.959 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -76.38 -49.69 16.15 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.02 0.928 . . . . 0.0 112.166 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -22.7 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.39 -29.71 59.01 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.489 -1.382 . . . . 0.0 111.719 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.43 -33.25 73.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.74 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -66.89 -59.81 3.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.76 1.624 . . . . 0.0 111.646 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -49.72 69.24 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.739 0.816 . . . . 0.0 111.871 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.28 -35.85 78.43 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.6 -50.6 71.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.327 1.051 . . . . 0.0 112.199 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -73.09 -26.79 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mttm . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.416 1.887 . . . . 0.0 113.727 175.222 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -72.13 -39.02 69.11 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.027 -1.046 . . . . 0.0 112.593 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.43 -26.06 68.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.506 1.122 . . . . 0.0 113.068 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.62 -42.31 92.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.199 -0.938 . . . . 0.0 111.208 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.69 -25.26 64.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.601 1.16 . . . . 0.0 112.91 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -83.39 -33.39 25.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.776 1.23 . . . . 0.0 111.478 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -78.41 -1.39 33.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.816 1.646 . . . . 0.0 113.507 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.32 -36.63 21.73 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.364 -1.46 . . . . 0.0 113.193 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -65.19 -38.22 89.8 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.038 0.935 . . . . 0.0 112.633 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -64.57 -44.77 89.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.643 1.577 . . . . 0.0 110.159 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.22 -30.35 66.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.41 -44.52 80.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.184 0.994 . . . . 0.0 111.349 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -28.67 62.99 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.83 -55.43 23.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.323 0.965 . . . . 0.0 111.514 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -69.42 -32.09 70.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.248 0.931 . . . . 0.0 111.696 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.14 -30.84 71.91 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.232 -0.917 . . . . 0.0 113.065 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -55.2 -37.61 67.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.467 1.03 . . . . 0.0 112.703 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.41 -22.51 43.5 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.543 1.065 . . . . 0.0 113.094 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.48 -50.95 12.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.02 0.928 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -23.04 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -27.97 58.56 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.432 -1.417 . . . . 0.0 112.005 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -71.0 -32.76 69.66 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.039 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -65.61 -59.21 4.18 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.52 1.528 . . . . 0.0 111.23 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.61 68.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.427 0.691 . . . . 0.0 111.921 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -60.14 -37.11 79.1 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.0 -50.16 74.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.63 1.172 . . . . 0.0 112.45 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -73.49 -26.79 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mttp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.926 177.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.89 -28.54 66.26 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.789 1.631 . . . . 0.0 114.381 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.05 -39.58 95.15 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.329 0.651 . . . . 0.0 111.829 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.58 -38.05 71.45 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.412 -0.805 . . . . 0.0 111.735 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -19.8 53.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.07 1.348 . . . . 0.0 114.437 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.7 mt -100.79 -34.91 9.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.994 1.718 . . . . 0.0 111.372 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -75.69 -0.1 19.61 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.551 1.54 . . . . 0.0 113.029 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.7 -36.9 48.49 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.277 -1.514 . . . . 0.0 112.825 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.4 -37.79 87.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.571 1.148 . . . . 0.0 113.131 175.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -46.67 78.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.365 1.466 . . . . 0.0 110.068 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -69.85 -29.56 66.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.01 82.95 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.229 1.012 . . . . 0.0 111.379 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -71.36 -31.36 67.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.26 -55.4 28.71 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.892 0.877 . . . . 0.0 111.831 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -70.01 -32.72 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.347 0.976 . . . . 0.0 111.79 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -63.03 -29.31 70.72 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.128 -0.983 . . . . 0.0 112.933 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -56.93 -37.13 71.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.641 1.109 . . . . 0.0 112.172 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -56.93 -22.86 40.96 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.16 0.891 . . . . 0.0 113.081 175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -76.53 -50.83 12.96 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.084 0.954 . . . . 0.0 111.391 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -23.13 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.5 -29.81 59.5 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.485 -1.385 . . . . 0.0 111.642 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -32.11 71.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.447 175.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -68.33 -59.14 3.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.517 1.527 . . . . 0.0 111.465 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.6 67.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.849 0.86 . . . . 0.0 111.685 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.65 -35.89 77.33 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.319 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.07 -51.76 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.056 0.943 . . . . 0.0 112.016 175.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.54 -28.66 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.427 1.491 . . . . 0.0 113.094 176.618 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -40.46 60.92 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.717 1.144 . . . . 0.0 113.404 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.96 -36.78 70.71 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.32 88.9 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.531 1.06 . . . . 0.0 111.428 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -19.09 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.178 1.391 . . . . 0.0 113.6 176.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.64 -37.58 12.34 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.489 1.515 . . . . 0.0 111.068 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.6 -2.57 20.46 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.54 1.936 . . . . 0.0 112.972 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.86 -35.6 33.44 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.348 -1.47 . . . . 0.0 113.214 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.89 -36.39 84.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.365 1.066 . . . . 0.0 112.74 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -44.89 81.21 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.626 1.57 . . . . 0.0 110.147 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -70.78 -29.56 65.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.02 78.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.973 0.909 . . . . 0.0 111.224 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -29.22 67.04 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.66 -55.07 22.43 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.978 0.911 . . . . 0.0 111.402 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -68.73 -32.63 72.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.252 0.933 . . . . 0.0 111.62 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.65 -31.12 71.93 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.245 -0.909 . . . . 0.0 113.012 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.5 -37.3 67.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.572 1.078 . . . . 0.0 113.066 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -57.38 -22.77 44.98 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.513 1.051 . . . . 0.0 113.092 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -50.78 13.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.346 1.058 . . . . 0.0 111.195 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.12 -22.36 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.64 -30.06 60.33 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.381 -1.449 . . . . 0.0 111.714 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -64.78 -38.51 91.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 111.565 174.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.29 -59.98 3.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.858 1.663 . . . . 0.0 111.682 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -50.65 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.81 0.844 . . . . 0.0 111.859 176.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -59.39 -37.16 77.25 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.383 0.992 . . . . 0.0 113.214 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.75 -48.99 79.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.418 1.087 . . . . 0.0 112.42 175.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.4 pt -75.04 -25.22 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mttm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.311 1.844 . . . . 0.0 114.056 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -59.71 -26.43 65.6 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 120.399 1.454 . . . . 0.0 114.15 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.44 -41.27 60.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 112.226 174.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.67 -47.9 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 0.0 111.933 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.64 -29.1 64.29 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 112.488 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -86.54 -38.13 17.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.913 1.285 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.6 1.52 14.18 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.58 1.152 . . . . 0.0 113.685 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.96 -35.04 44.87 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.007 1.73 . . . . 0.0 112.647 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.33 -36.17 83.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.237 1.015 . . . . 0.0 112.802 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -48.7 69.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.441 1.496 . . . . 0.0 109.341 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.33 -29.64 67.51 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.56 78.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.353 1.061 . . . . 0.0 111.369 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -28.86 65.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.14 -55.33 22.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.374 0.988 . . . . 0.0 111.43 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.11 -32.33 71.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.237 0.926 . . . . 0.0 111.632 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.84 -31.26 72.24 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.17 -37.6 67.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.437 1.017 . . . . 0.0 112.806 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.51 -22.27 43.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.44 1.018 . . . . 0.0 113.196 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -76.47 -50.88 12.93 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.98 0.912 . . . . 0.0 111.247 175.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.79 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -27.18 57.0 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.519 -1.363 . . . . 0.0 111.927 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -68.83 -34.28 75.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.893 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.43 -59.82 3.32 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.966 1.706 . . . . 0.0 111.299 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -50.73 65.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.258 1.023 . . . . 0.0 111.943 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.2 t90 -60.87 -34.99 75.47 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.49 -50.73 70.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.337 1.055 . . . . 0.0 111.917 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -72.89 -26.39 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.611 1.565 . . . . 0.0 113.033 174.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -37.79 80.8 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 121.392 1.905 . . . . 0.0 113.757 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.13 -44.84 88.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.302 1.041 . . . . 0.0 113.217 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.03 -33.3 74.34 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.36 -0.838 . . . . 0.0 112.656 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.78 -29.07 70.32 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.788 1.235 . . . . 0.0 113.134 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.72 -35.95 22.16 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.694 1.198 . . . . 0.0 111.996 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.94 -0.68 22.32 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.288 1.435 . . . . 0.0 113.745 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -52.77 -35.16 56.05 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.226 -1.546 . . . . 0.0 113.276 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.44 -35.88 80.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.351 1.061 . . . . 0.0 113.054 175.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.7 65.76 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 110.021 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -67.8 -29.04 68.12 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.63 79.45 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 111.496 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.8 -55.53 22.32 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.312 0.96 . . . . 0.0 111.643 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.77 -32.96 71.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.376 0.989 . . . . 0.0 111.735 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.55 -29.08 70.39 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.204 -0.935 . . . . 0.0 113.126 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -56.08 -37.91 69.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.673 1.124 . . . . 0.0 112.533 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -56.75 -23.29 41.81 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.41 1.005 . . . . 0.0 113.017 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.46 -50.92 12.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.954 0.901 . . . . 0.0 111.713 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -22.69 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.15 -27.96 62.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.426 -1.421 . . . . 0.0 112.04 176.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.93 -31.15 68.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.017 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.44 -60.0 2.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 111.451 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -50.68 65.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 175.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -60.53 -35.73 76.7 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.72 -51.06 69.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.01 0.924 . . . . 0.0 112.031 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 pt -72.32 -27.39 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mttm . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.161 1.784 . . . . 0.0 113.304 175.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.69 -24.96 64.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.653 1.181 . . . . 0.0 113.837 -176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -58.14 -31.38 67.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.859 1.264 . . . . 0.0 112.149 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.6 -45.09 94.47 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.891 -1.131 . . . . 0.0 111.902 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.92 -24.07 66.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.891 0.876 . . . . 0.0 112.823 175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.38 -38.12 30.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.966 0.907 . . . . 0.0 111.425 175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.86 -1.96 21.72 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.919 1.688 . . . . 0.0 114.403 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -50.23 -35.49 26.97 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.284 -1.51 . . . . 0.0 113.521 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.058 0.845 . . . . 0.0 113.127 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -70.77 -45.91 63.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.716 1.607 . . . . 0.0 109.741 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -68.67 -29.55 68.04 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.27 75.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.341 1.056 . . . . 0.0 111.311 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -29.2 67.87 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 174.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.54 -55.65 19.13 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.429 1.013 . . . . 0.0 111.636 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -69.22 -33.14 72.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.331 0.968 . . . . 0.0 111.778 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -63.51 -28.75 70.17 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.232 -0.917 . . . . 0.0 113.114 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -56.33 -37.35 69.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.884 1.22 . . . . 0.0 112.791 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -57.57 -22.33 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.39 0.996 . . . . 0.0 113.078 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.49 -50.7 13.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.202 1.001 . . . . 0.0 111.205 174.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.22 -22.58 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -28.14 60.05 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.404 -1.435 . . . . 0.0 112.108 175.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -69.37 -32.36 71.35 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 112.04 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -67.23 -59.45 3.42 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.662 1.585 . . . . 0.0 111.471 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -49.3 70.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 111.885 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.49 -36.61 80.94 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.073 0.851 . . . . 0.0 113.076 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.19 -50.57 72.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 175.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -72.1 -22.16 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.449 1.9 . . . . 0.0 114.153 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.9 t30 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 -44.59 73.93 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.947 -1.096 . . . . 0.0 113.184 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -41.45 69.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.967 1.307 . . . . 0.0 112.805 175.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.61 -48.77 80.33 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.307 0.958 . . . . 0.0 111.891 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.14 -21.52 66.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.47 -35.4 19.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.818 1.247 . . . . 0.0 111.872 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.23 -0.77 17.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.213 1.805 . . . . 0.0 113.261 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.47 -35.24 28.09 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.537 -1.352 . . . . 0.0 113.227 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.53 -35.28 80.4 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.356 0.98 . . . . 0.0 112.766 175.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -45.1 77.42 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.25 1.42 . . . . 0.0 109.83 174.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -69.28 -30.52 68.64 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.94 76.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.165 0.986 . . . . 0.0 112.26 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.32 -29.36 47.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 174.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.01 -53.69 49.91 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.185 0.994 . . . . 0.0 111.816 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -69.0 -33.17 73.24 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.25 0.932 . . . . 0.0 111.848 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.03 -29.27 70.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.131 -0.981 . . . . 0.0 112.894 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.03 -37.64 69.47 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.69 1.132 . . . . 0.0 112.67 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.19 -22.68 42.44 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.408 1.004 . . . . 0.0 113.208 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -76.39 -51.77 11.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 111.08 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -22.82 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -56.07 -29.21 60.2 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.576 -1.328 . . . . 0.0 111.852 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -70.05 -30.61 67.92 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.501 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -67.66 -59.54 3.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.338 1.455 . . . . 0.0 111.339 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -51.29 64.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.051 0.94 . . . . 0.0 111.457 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -59.89 -35.59 75.17 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.52 -50.84 69.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.735 0.814 . . . . 0.0 111.666 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -72.64 -26.9 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mttm . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.906 1.683 . . . . 0.0 112.771 175.764 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.456 0.169 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -28.81 70.18 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -47.69 78.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.209 1.403 . . . . 0.0 112.456 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.2 -34.38 77.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.762 -0.586 . . . . 0.0 112.328 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.08 65.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.658 1.183 . . . . 0.0 112.984 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.85 2.73 52.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.667 1.987 . . . . 0.0 113.031 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -67.99 0.75 3.22 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.089 1.355 . . . . 0.0 113.494 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -48.99 -39.03 25.07 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.494 -1.379 . . . . 0.0 112.713 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.12 93.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.085 1.354 . . . . 0.0 113.107 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -46.96 79.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.774 1.629 . . . . 0.0 110.279 175.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -68.29 -28.9 67.58 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.8 81.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.955 0.902 . . . . 0.0 111.17 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 t -69.14 -31.98 71.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.571 0.748 . . . . 0.0 112.908 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.9 -54.57 40.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.267 0.94 . . . . 0.0 111.858 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.89 -32.23 70.46 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.259 0.936 . . . . 0.0 111.713 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.85 -30.89 71.85 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.282 -0.886 . . . . 0.0 112.98 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -55.63 -36.2 66.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.406 1.003 . . . . 0.0 113.067 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -58.61 -22.14 55.51 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.312 0.96 . . . . 0.0 112.907 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -76.45 -50.96 12.76 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.063 0.945 . . . . 0.0 110.902 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.85 -22.78 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.12 -29.62 60.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.425 -1.422 . . . . 0.0 111.84 175.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.32 -31.48 70.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.269 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -67.82 -59.7 3.09 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.528 1.531 . . . . 0.0 111.345 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.13 68.79 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.953 0.901 . . . . 0.0 111.87 175.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -60.68 -35.62 76.7 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.72 -51.32 68.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.044 0.937 . . . . 0.0 112.003 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -72.66 -26.79 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.775 1.63 . . . . 0.0 112.776 175.38 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.6 t30 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -28.62 42.01 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 120.512 1.505 . . . . 0.0 114.92 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -32.76 71.27 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.518 -0.739 . . . . 0.0 112.231 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.98 -41.67 88.13 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.406 -0.809 . . . . 0.0 111.8 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.03 -24.4 64.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 112.892 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.14 -39.08 10.76 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.922 1.689 . . . . 0.0 111.172 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -74.54 1.36 12.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.918 1.687 . . . . 0.0 114.049 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.3 -34.73 34.49 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.62 1.555 . . . . 0.0 112.431 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.27 -41.09 97.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.809 1.244 . . . . 0.0 112.965 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.3 -47.02 84.02 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.51 1.524 . . . . 0.0 110.206 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.82 -29.7 67.04 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.76 79.54 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.206 1.002 . . . . 0.0 111.957 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -76.45 -29.63 57.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.79 -54.06 41.11 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.217 1.007 . . . . 0.0 111.738 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -68.31 -33.16 73.82 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.268 0.94 . . . . 0.0 111.862 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -62.93 -28.86 70.36 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.249 -0.907 . . . . 0.0 112.964 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.46 -37.34 70.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.762 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.6 -22.85 47.65 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.474 1.034 . . . . 0.0 113.019 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.36 -50.53 13.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.145 0.978 . . . . 0.0 111.346 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.78 -22.58 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -29.78 60.11 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.355 -1.466 . . . . 0.0 111.761 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -65.41 -38.32 89.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.066 0.946 . . . . 0.0 111.473 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.06 -60.36 3.33 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.835 1.654 . . . . 0.0 111.626 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.29 72.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.024 . . . . 0.0 112.408 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -62.56 -37.11 84.88 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.07 0.85 . . . . 0.0 113.012 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.29 -50.41 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.681 1.193 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -73.87 -25.47 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.875 1.67 . . . . 0.0 113.166 176.76 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -75.2 -0.96 21.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.841 1.256 . . . . 0.0 113.65 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.63 -33.49 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.448 -1.407 . . . . 0.0 113.077 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -65.8 -34.78 78.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.582 1.153 . . . . 0.0 112.709 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -69.58 -40.16 76.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.371 1.469 . . . . 0.0 110.482 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -74.2 -28.73 61.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.56 84.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.087 0.955 . . . . 0.0 111.848 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.7 p -71.64 -27.91 63.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.48 -56.2 12.06 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.191 0.996 . . . . 0.0 111.528 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -67.2 -33.3 75.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.408 1.004 . . . . 0.0 111.642 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -63.77 -29.37 70.59 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.267 -0.896 . . . . 0.0 113.122 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.37 -37.49 70.13 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.803 1.183 . . . . 0.0 112.675 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.96 -22.89 41.66 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.42 1.009 . . . . 0.0 113.161 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.32 -51.09 12.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.19 0.996 . . . . 0.0 111.54 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.69 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -27.65 59.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.507 -1.37 . . . . 0.0 111.748 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.53 -33.57 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.24 -0.886 . . . . 0.0 112.042 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -67.26 -59.61 3.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.919 1.688 . . . . 0.0 111.553 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -48.21 73.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.243 1.017 . . . . 0.0 111.969 175.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -62.51 -37.38 85.84 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.949 0.795 . . . . 0.0 112.783 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.55 -49.73 76.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 112.499 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -72.5 -27.69 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.687 1.595 . . . . 0.0 114.398 174.342 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.23 -3.1 34.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.855 1.662 . . . . 0.0 113.046 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.1 -38.05 23.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.271 -1.518 . . . . 0.0 113.207 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -65.07 -35.83 82.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.961 0.904 . . . . 0.0 112.657 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -66.09 -46.54 77.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.444 1.498 . . . . 0.0 109.826 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.67 -30.28 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.68 81.32 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 111.542 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.89 63.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.33 -55.72 22.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.037 0.935 . . . . 0.0 111.698 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -69.34 -32.75 72.04 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.402 1.001 . . . . 0.0 111.674 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -63.73 -29.1 70.36 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.224 -0.923 . . . . 0.0 113.054 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -56.38 -37.61 70.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.747 1.158 . . . . 0.0 112.4 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -56.95 -22.71 39.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 113.043 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -76.37 -50.97 12.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.283 1.033 . . . . 0.0 111.586 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -22.88 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -27.85 59.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.393 -1.442 . . . . 0.0 111.859 175.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.2 -33.42 73.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.814 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -66.54 -60.02 3.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.952 1.701 . . . . 0.0 111.535 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -49.79 68.27 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.097 0.959 . . . . 0.0 111.945 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -61.59 -36.6 81.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.24 65.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.419 1.088 . . . . 0.0 112.046 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.5 pt -70.68 -24.52 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.027 1.731 . . . . 0.0 113.526 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 120.7 0.286 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -74.72 0.14 16.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.705 1.602 . . . . 0.0 114.285 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -52.61 -34.14 49.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.437 1.471 . . . . 0.0 112.8 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.29 -38.82 92.39 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.565 1.146 . . . . 0.0 113.103 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.38 -47.96 74.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.205 1.402 . . . . 0.0 110.369 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -68.67 -30.39 69.06 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.75 87.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.113 0.965 . . . . 0.0 111.884 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.54 -29.06 63.25 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.89 -54.95 17.15 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.389 1.076 . . . . 0.0 111.527 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -65.35 -34.28 77.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.255 0.934 . . . . 0.0 111.662 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.85 -28.52 70.08 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.236 -0.915 . . . . 0.0 113.073 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -57.28 -37.87 73.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.969 1.258 . . . . 0.0 112.77 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.12 -23.71 49.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.582 1.083 . . . . 0.0 113.129 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -76.41 -50.99 12.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.977 0.911 . . . . 0.0 111.571 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tt -77.48 -22.13 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -27.89 62.46 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.229 -1.544 . . . . 0.0 112.149 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -68.42 -32.15 71.99 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.024 175.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -67.6 -59.37 3.4 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.742 1.617 . . . . 0.0 111.528 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -48.17 74.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.203 1.001 . . . . 0.0 112.049 175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -62.21 -36.85 83.22 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.053 0.842 . . . . 0.0 112.75 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -60.53 -49.98 75.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.525 1.13 . . . . 0.0 112.57 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -73.31 -23.14 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.816 1.646 . . . . 0.0 113.792 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.15 0.68 1.85 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.802 -1.186 . . . . 0.0 113.545 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 mt -49.73 -37.44 29.36 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.547 -1.346 . . . . 0.0 112.75 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -65.69 -36.69 84.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.419 1.088 . . . . 0.0 112.862 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.03 -47.06 72.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.712 1.605 . . . . 0.0 110.051 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.42 -29.3 67.0 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.88 77.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.051 0.941 . . . . 0.0 111.435 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -71.42 -27.34 63.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.23 -55.53 20.95 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.556 1.071 . . . . 0.0 111.59 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.53 -32.9 72.0 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.297 0.953 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -63.55 -29.12 70.43 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.206 -0.934 . . . . 0.0 113.199 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -56.03 -37.53 69.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.703 1.138 . . . . 0.0 112.682 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.13 -23.07 44.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.454 1.025 . . . . 0.0 113.041 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -50.89 13.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.142 0.977 . . . . 0.0 111.216 175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.38 -23.33 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -27.59 56.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.401 -1.437 . . . . 0.0 112.049 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.93 -37.16 81.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.608 0.763 . . . . 0.0 111.312 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -63.91 -60.0 3.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.26 1.824 . . . . 0.0 111.957 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -50.24 68.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.775 0.83 . . . . 0.0 111.826 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -61.12 -35.67 77.67 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.072 0.851 . . . . 0.0 113.007 175.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.62 -50.64 71.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.662 1.185 . . . . 0.0 112.303 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -72.6 -28.38 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.255 1.822 . . . . 0.0 114.025 179.47 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.511 0.196 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.01 -0.76 32.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.973 1.309 . . . . 0.0 113.328 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.37 -37.71 25.87 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.577 -1.327 . . . . 0.0 112.997 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -63.44 -37.21 86.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.073 0.851 . . . . 0.0 112.96 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.27 88.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.543 1.137 . . . . 0.0 109.567 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -71.9 -29.44 64.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.86 81.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.334 1.054 . . . . 0.0 111.276 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -28.8 61.09 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.67 -56.29 16.88 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.113 0.965 . . . . 0.0 111.56 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -67.87 -32.67 73.34 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.263 0.938 . . . . 0.0 111.575 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.52 -30.69 71.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.219 -0.926 . . . . 0.0 112.923 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.06 -36.5 68.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.493 1.042 . . . . 0.0 112.687 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -57.75 -22.7 48.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.119 0.872 . . . . 0.0 112.954 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -76.41 -50.9 12.95 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.213 -0.929 . . . . 0.0 111.581 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -22.74 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.17 -29.65 61.13 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.31 -1.494 . . . . 0.0 111.775 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -67.96 -31.39 71.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.211 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -67.96 -60.04 2.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.614 1.566 . . . . 0.0 111.439 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -49.46 70.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.019 0.928 . . . . 0.0 112.041 175.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -62.92 -32.58 73.9 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.85 -51.91 62.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.23 1.012 . . . . 0.0 111.9 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 pt -71.29 -30.38 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.254 1.422 . . . . 0.0 114.432 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.02 -0.44 21.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.125 1.77 . . . . 0.0 113.371 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.08 -33.26 51.32 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.649 1.568 . . . . 0.0 112.889 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.6 -36.45 83.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.088 0.955 . . . . 0.0 112.937 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -47.9 70.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.707 1.603 . . . . 0.0 109.629 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.04 -29.98 68.24 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.22 78.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.306 1.042 . . . . 0.0 111.739 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 t -72.42 -31.54 65.59 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.78 -56.1 20.57 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.039 0.936 . . . . 0.0 111.909 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.27 -32.73 73.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.339 0.972 . . . . 0.0 111.784 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -63.61 -29.93 71.11 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.222 -0.924 . . . . 0.0 113.062 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.76 -37.03 67.98 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.602 1.092 . . . . 0.0 112.69 175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.41 -22.52 43.59 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.41 1.004 . . . . 0.0 112.982 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.46 -50.88 12.93 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.059 0.944 . . . . 0.0 111.059 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -22.87 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.55 -29.81 59.64 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.36 -1.463 . . . . 0.0 111.719 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -66.3 -38.25 87.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.819 0.848 . . . . 0.0 111.424 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -63.34 -60.08 3.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.794 1.638 . . . . 0.0 111.794 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -50.71 68.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.717 0.807 . . . . 0.0 112.055 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -59.43 -36.82 76.63 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.432 1.015 . . . . 0.0 113.526 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.27 -49.96 74.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.797 1.239 . . . . 0.0 112.367 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -74.09 -25.49 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.411 1.884 . . . . 0.0 114.087 173.068 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.484 0.183 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.52 -1.81 22.99 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.935 1.294 . . . . 0.0 113.424 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.16 -36.16 29.06 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.581 -1.324 . . . . 0.0 113.06 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.89 -37.04 86.3 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.643 1.177 . . . . 0.0 112.801 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -43.67 85.98 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.342 1.457 . . . . 0.0 109.93 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -71.22 -29.77 65.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.32 81.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.248 1.019 . . . . 0.0 111.384 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -28.29 63.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.94 -55.54 21.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.512 1.051 . . . . 0.0 111.64 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.62 -32.84 71.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.975 . . . . 0.0 111.862 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -63.76 -29.02 70.28 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.186 -0.946 . . . . 0.0 113.115 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.06 -37.25 69.04 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.766 1.166 . . . . 0.0 112.536 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -57.41 -22.62 44.27 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.426 1.012 . . . . 0.0 113.099 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -76.5 -50.81 13.05 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.902 0.881 . . . . 0.0 111.25 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.17 -23.12 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -26.99 58.34 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.457 -1.402 . . . . 0.0 111.986 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.27 -33.83 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.874 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -66.86 -59.63 3.36 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.079 1.752 . . . . 0.0 111.425 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.72 66.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.978 0.911 . . . . 0.0 111.767 175.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.61 -35.99 77.5 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.2 -50.93 71.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.274 1.03 . . . . 0.0 112.163 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -72.49 -28.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mttm . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.817 1.647 . . . . 0.0 113.368 176.55 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.38 0.74 21.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.752 1.621 . . . . 0.0 113.557 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.72 -35.81 56.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.425 1.466 . . . . 0.0 112.42 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.2 -37.47 87.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.96 0.904 . . . . 0.0 113.237 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -45.41 86.42 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.597 1.159 . . . . 0.0 110.046 174.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -73.1 -29.59 63.03 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.85 78.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.512 1.125 . . . . 0.0 111.452 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -74.44 -30.13 61.77 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.11 -56.22 18.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 111.781 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -68.54 -32.01 71.63 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.362 0.983 . . . . 0.0 111.632 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.14 -31.13 72.19 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.249 -0.907 . . . . 0.0 113.116 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.34 -36.65 66.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.211 0.914 . . . . 0.0 112.848 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -58.06 -22.15 48.89 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.364 0.983 . . . . 0.0 113.067 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.69 -51.27 11.81 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.124 0.97 . . . . 0.0 111.036 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.7 -23.67 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -55.66 -29.2 58.9 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.396 -1.44 . . . . 0.0 111.7 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.5 -39.0 88.46 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.925 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -61.88 -60.84 3.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.367 1.867 . . . . 0.0 112.06 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -49.91 68.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.201 1.0 . . . . 0.0 111.759 176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.35 -35.23 78.47 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 118.937 0.79 . . . . 0.0 112.827 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.92 -52.72 62.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.862 1.265 . . . . 0.0 111.645 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -70.2 -27.7 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.751 1.62 . . . . 0.0 113.08 175.597 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.498 0.189 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -74.8 0.16 16.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.4 mt -51.75 -36.8 48.63 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.407 1.458 . . . . 0.0 113.075 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.9 -39.15 90.98 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.935 0.894 . . . . 0.0 113.103 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -43.52 91.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.455 1.502 . . . . 0.0 110.912 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -72.44 -28.84 63.2 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.92 86.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 111.254 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -31.97 71.69 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.97 -55.93 16.21 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.156 0.982 . . . . 0.0 111.684 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -67.68 -33.14 74.32 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.3 0.955 . . . . 0.0 111.587 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -63.56 -29.96 71.15 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.117 -0.989 . . . . 0.0 113.094 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.82 -37.38 68.6 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.689 1.131 . . . . 0.0 112.768 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -56.99 -22.98 42.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.42 1.009 . . . . 0.0 113.124 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -76.23 -50.82 13.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.089 0.955 . . . . 0.0 111.595 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.53 -23.29 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -28.61 58.77 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.465 -1.397 . . . . 0.0 111.754 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.9 -31.01 69.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.052 0.941 . . . . 0.0 112.773 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.74 -59.37 2.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.221 1.808 . . . . 0.0 111.664 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -50.7 66.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.837 0.855 . . . . 0.0 111.705 175.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -60.95 -35.45 76.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.102 0.865 . . . . 0.0 113.118 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.64 64.28 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.096 -1.003 . . . . 0.0 111.797 175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.6 pt -71.49 -27.52 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mttm . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.085 1.754 . . . . 0.0 112.597 -179.085 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.688 0.28 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.97 -1.36 19.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.248 1.419 . . . . 0.0 113.705 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -51.1 -36.37 40.03 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.256 1.389 . . . . 0.0 112.89 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.9 -41.0 97.39 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.334 1.054 . . . . 0.0 113.011 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -45.48 90.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.263 1.425 . . . . 0.0 110.43 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -71.25 -28.92 64.52 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.01 72.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.415 1.086 . . . . 0.0 110.929 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -67.79 -28.44 67.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.21 -55.25 22.97 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.644 1.111 . . . . 0.0 111.429 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -69.15 -32.9 72.57 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.292 0.951 . . . . 0.0 111.818 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.45 -30.86 71.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.307 -0.871 . . . . 0.0 113.284 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -55.48 -37.79 68.25 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.555 1.07 . . . . 0.0 112.811 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -56.96 -23.06 42.91 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.39 0.995 . . . . 0.0 113.041 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.45 -51.02 12.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.224 1.009 . . . . 0.0 111.424 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.19 -22.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -56.29 -29.04 60.65 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.384 -1.448 . . . . 0.0 111.865 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -68.7 -32.09 71.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.332 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.57 -59.69 3.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.61 1.564 . . . . 0.0 111.401 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -50.71 66.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.933 0.893 . . . . 0.0 111.698 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -59.71 -36.52 76.7 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.213 0.915 . . . . 0.0 113.396 174.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.51 -48.6 80.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.999 0.92 . . . . 0.0 112.494 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -75.46 -25.25 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.086 1.754 . . . . 0.0 113.762 173.327 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.44 -0.9 21.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.956 1.302 . . . . 0.0 113.822 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.16 -35.42 35.83 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 112.474 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.13 -39.04 93.53 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.458 1.503 . . . . 0.0 112.821 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -44.88 85.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.575 1.55 . . . . 0.0 110.071 174.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.82 -29.44 66.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.46 81.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.074 0.949 . . . . 0.0 111.234 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -27.86 60.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.48 -55.54 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 111.543 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.93 -32.91 72.87 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.347 0.976 . . . . 0.0 111.405 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -30.56 71.65 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.224 -0.923 . . . . 0.0 112.609 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.48 -37.68 68.13 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.592 1.087 . . . . 0.0 112.601 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -56.71 -23.26 41.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.321 0.964 . . . . 0.0 112.959 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -76.38 -49.69 16.15 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.02 0.928 . . . . 0.0 112.166 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -22.7 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.39 -29.71 59.01 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.489 -1.382 . . . . 0.0 111.719 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.43 -33.25 73.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.74 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -66.89 -59.81 3.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.76 1.624 . . . . 0.0 111.646 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -49.72 69.24 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.739 0.816 . . . . 0.0 111.871 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.28 -35.85 78.43 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.6 -50.6 71.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.327 1.051 . . . . 0.0 112.199 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -73.09 -26.79 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mttm . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.416 1.887 . . . . 0.0 113.727 175.222 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -78.41 -1.39 33.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.816 1.646 . . . . 0.0 113.507 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.32 -36.63 21.73 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.364 -1.46 . . . . 0.0 113.193 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -65.19 -38.22 89.8 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.038 0.935 . . . . 0.0 112.633 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -64.57 -44.77 89.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.643 1.577 . . . . 0.0 110.159 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.22 -30.35 66.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.41 -44.52 80.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.184 0.994 . . . . 0.0 111.349 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -28.67 62.99 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.83 -55.43 23.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.323 0.965 . . . . 0.0 111.514 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -69.42 -32.09 70.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.248 0.931 . . . . 0.0 111.696 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.14 -30.84 71.91 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.232 -0.917 . . . . 0.0 113.065 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -55.2 -37.61 67.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.467 1.03 . . . . 0.0 112.703 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.41 -22.51 43.5 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.543 1.065 . . . . 0.0 113.094 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.48 -50.95 12.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.02 0.928 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -23.04 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -27.97 58.56 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.432 -1.417 . . . . 0.0 112.005 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -71.0 -32.76 69.66 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.039 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -65.61 -59.21 4.18 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.52 1.528 . . . . 0.0 111.23 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.61 68.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.427 0.691 . . . . 0.0 111.921 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -60.14 -37.11 79.1 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.0 -50.16 74.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.63 1.172 . . . . 0.0 112.45 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -73.49 -26.79 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mttp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.926 177.161 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 CA--C 1.539 0.557 0 CA-C-O 120.627 0.251 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -75.69 -0.1 19.61 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.551 1.54 . . . . 0.0 113.029 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.7 -36.9 48.49 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.277 -1.514 . . . . 0.0 112.825 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.4 -37.79 87.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.571 1.148 . . . . 0.0 113.131 175.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -46.67 78.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.365 1.466 . . . . 0.0 110.068 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -69.85 -29.56 66.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.01 82.95 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.229 1.012 . . . . 0.0 111.379 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -71.36 -31.36 67.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.26 -55.4 28.71 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.892 0.877 . . . . 0.0 111.831 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -70.01 -32.72 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.347 0.976 . . . . 0.0 111.79 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -63.03 -29.31 70.72 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.128 -0.983 . . . . 0.0 112.933 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -56.93 -37.13 71.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.641 1.109 . . . . 0.0 112.172 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -56.93 -22.86 40.96 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.16 0.891 . . . . 0.0 113.081 175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -76.53 -50.83 12.96 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.084 0.954 . . . . 0.0 111.391 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -23.13 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.5 -29.81 59.5 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.485 -1.385 . . . . 0.0 111.642 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -32.11 71.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.447 175.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -68.33 -59.14 3.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.517 1.527 . . . . 0.0 111.465 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.6 67.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.849 0.86 . . . . 0.0 111.685 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.65 -35.89 77.33 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.319 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.07 -51.76 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.056 0.943 . . . . 0.0 112.016 175.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.54 -28.66 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.427 1.491 . . . . 0.0 113.094 176.618 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.694 0.283 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.6 -2.57 20.46 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.54 1.936 . . . . 0.0 112.972 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.86 -35.6 33.44 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.348 -1.47 . . . . 0.0 113.214 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.89 -36.39 84.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.365 1.066 . . . . 0.0 112.74 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -44.89 81.21 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.626 1.57 . . . . 0.0 110.147 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -70.78 -29.56 65.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.02 78.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.973 0.909 . . . . 0.0 111.224 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -29.22 67.04 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.66 -55.07 22.43 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.978 0.911 . . . . 0.0 111.402 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -68.73 -32.63 72.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.252 0.933 . . . . 0.0 111.62 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.65 -31.12 71.93 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.245 -0.909 . . . . 0.0 113.012 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.5 -37.3 67.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.572 1.078 . . . . 0.0 113.066 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -57.38 -22.77 44.98 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.513 1.051 . . . . 0.0 113.092 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -50.78 13.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.346 1.058 . . . . 0.0 111.195 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.12 -22.36 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.64 -30.06 60.33 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.381 -1.449 . . . . 0.0 111.714 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -64.78 -38.51 91.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 111.565 174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.29 -59.98 3.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.858 1.663 . . . . 0.0 111.682 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -50.65 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.81 0.844 . . . . 0.0 111.859 176.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -59.39 -37.16 77.25 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.383 0.992 . . . . 0.0 113.214 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.75 -48.99 79.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.418 1.087 . . . . 0.0 112.42 175.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.4 pt -75.04 -25.22 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mttm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.311 1.844 . . . . 0.0 114.056 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.6 1.52 14.18 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.58 1.152 . . . . 0.0 113.685 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.96 -35.04 44.87 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.007 1.73 . . . . 0.0 112.647 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.33 -36.17 83.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.237 1.015 . . . . 0.0 112.802 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -48.7 69.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.441 1.496 . . . . 0.0 109.341 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.33 -29.64 67.51 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.56 78.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.353 1.061 . . . . 0.0 111.369 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -28.86 65.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.14 -55.33 22.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.374 0.988 . . . . 0.0 111.43 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.11 -32.33 71.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.237 0.926 . . . . 0.0 111.632 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.84 -31.26 72.24 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.17 -37.6 67.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.437 1.017 . . . . 0.0 112.806 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.51 -22.27 43.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.44 1.018 . . . . 0.0 113.196 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -76.47 -50.88 12.93 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.98 0.912 . . . . 0.0 111.247 175.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.79 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -27.18 57.0 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.519 -1.363 . . . . 0.0 111.927 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -68.83 -34.28 75.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.893 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.43 -59.82 3.32 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.966 1.706 . . . . 0.0 111.299 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -50.73 65.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.258 1.023 . . . . 0.0 111.943 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.2 t90 -60.87 -34.99 75.47 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.49 -50.73 70.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.337 1.055 . . . . 0.0 111.917 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -72.89 -26.39 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.611 1.565 . . . . 0.0 113.033 174.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.94 -0.68 22.32 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.288 1.435 . . . . 0.0 113.745 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -52.77 -35.16 56.05 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.226 -1.546 . . . . 0.0 113.276 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.44 -35.88 80.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.351 1.061 . . . . 0.0 113.054 175.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.7 65.76 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 110.021 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -67.8 -29.04 68.12 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.63 79.45 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 111.496 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.8 -55.53 22.32 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.312 0.96 . . . . 0.0 111.643 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.77 -32.96 71.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.376 0.989 . . . . 0.0 111.735 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.55 -29.08 70.39 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.204 -0.935 . . . . 0.0 113.126 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -56.08 -37.91 69.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.673 1.124 . . . . 0.0 112.533 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -56.75 -23.29 41.81 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.41 1.005 . . . . 0.0 113.017 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.46 -50.92 12.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.954 0.901 . . . . 0.0 111.713 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -22.69 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.15 -27.96 62.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.426 -1.421 . . . . 0.0 112.04 176.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.93 -31.15 68.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.017 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.44 -60.0 2.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 111.451 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -50.68 65.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 175.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -60.53 -35.73 76.7 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.72 -51.06 69.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.01 0.924 . . . . 0.0 112.031 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 pt -72.32 -27.39 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mttm . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.161 1.784 . . . . 0.0 113.304 175.937 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.86 -1.96 21.72 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.919 1.688 . . . . 0.0 114.403 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -50.23 -35.49 26.97 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.284 -1.51 . . . . 0.0 113.521 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.058 0.845 . . . . 0.0 113.127 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -70.77 -45.91 63.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.716 1.607 . . . . 0.0 109.741 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -68.67 -29.55 68.04 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.27 75.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.341 1.056 . . . . 0.0 111.311 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -29.2 67.87 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 174.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.54 -55.65 19.13 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.429 1.013 . . . . 0.0 111.636 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -69.22 -33.14 72.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.331 0.968 . . . . 0.0 111.778 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -63.51 -28.75 70.17 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.232 -0.917 . . . . 0.0 113.114 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -56.33 -37.35 69.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.884 1.22 . . . . 0.0 112.791 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -57.57 -22.33 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.39 0.996 . . . . 0.0 113.078 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.49 -50.7 13.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.202 1.001 . . . . 0.0 111.205 174.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.22 -22.58 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -28.14 60.05 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.404 -1.435 . . . . 0.0 112.108 175.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -69.37 -32.36 71.35 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 112.04 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -67.23 -59.45 3.42 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.662 1.585 . . . . 0.0 111.471 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -49.3 70.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 111.885 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.49 -36.61 80.94 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.073 0.851 . . . . 0.0 113.076 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.19 -50.57 72.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 175.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -72.1 -22.16 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.449 1.9 . . . . 0.0 114.153 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.23 -0.77 17.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.213 1.805 . . . . 0.0 113.261 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.47 -35.24 28.09 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.537 -1.352 . . . . 0.0 113.227 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.53 -35.28 80.4 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.356 0.98 . . . . 0.0 112.766 175.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -45.1 77.42 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.25 1.42 . . . . 0.0 109.83 174.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -69.28 -30.52 68.64 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.94 76.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.165 0.986 . . . . 0.0 112.26 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.32 -29.36 47.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 174.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.01 -53.69 49.91 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.185 0.994 . . . . 0.0 111.816 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -69.0 -33.17 73.24 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.25 0.932 . . . . 0.0 111.848 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.03 -29.27 70.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.131 -0.981 . . . . 0.0 112.894 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.03 -37.64 69.47 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.69 1.132 . . . . 0.0 112.67 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.19 -22.68 42.44 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.408 1.004 . . . . 0.0 113.208 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -76.39 -51.77 11.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 111.08 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -22.82 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -56.07 -29.21 60.2 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.576 -1.328 . . . . 0.0 111.852 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -70.05 -30.61 67.92 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.501 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -67.66 -59.54 3.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.338 1.455 . . . . 0.0 111.339 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -51.29 64.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.051 0.94 . . . . 0.0 111.457 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -59.89 -35.59 75.17 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.52 -50.84 69.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.735 0.814 . . . . 0.0 111.666 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -72.64 -26.9 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mttm . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.906 1.683 . . . . 0.0 112.771 175.764 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -67.99 0.75 3.22 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.089 1.355 . . . . 0.0 113.494 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -48.99 -39.03 25.07 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.494 -1.379 . . . . 0.0 112.713 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.12 93.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.085 1.354 . . . . 0.0 113.107 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -46.96 79.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.774 1.629 . . . . 0.0 110.279 175.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -68.29 -28.9 67.58 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.8 81.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.955 0.902 . . . . 0.0 111.17 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 t -69.14 -31.98 71.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.571 0.748 . . . . 0.0 112.908 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.9 -54.57 40.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.267 0.94 . . . . 0.0 111.858 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.89 -32.23 70.46 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.259 0.936 . . . . 0.0 111.713 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.85 -30.89 71.85 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.282 -0.886 . . . . 0.0 112.98 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -55.63 -36.2 66.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.406 1.003 . . . . 0.0 113.067 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -58.61 -22.14 55.51 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.312 0.96 . . . . 0.0 112.907 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -76.45 -50.96 12.76 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.063 0.945 . . . . 0.0 110.902 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.85 -22.78 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.12 -29.62 60.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.425 -1.422 . . . . 0.0 111.84 175.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.32 -31.48 70.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.269 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -67.82 -59.7 3.09 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.528 1.531 . . . . 0.0 111.345 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.13 68.79 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.953 0.901 . . . . 0.0 111.87 175.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -60.68 -35.62 76.7 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.72 -51.32 68.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.044 0.937 . . . . 0.0 112.003 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -72.66 -26.79 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.775 1.63 . . . . 0.0 112.776 175.38 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 120.537 0.208 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -74.54 1.36 12.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.918 1.687 . . . . 0.0 114.049 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.3 -34.73 34.49 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.62 1.555 . . . . 0.0 112.431 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.27 -41.09 97.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.809 1.244 . . . . 0.0 112.965 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.3 -47.02 84.02 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.51 1.524 . . . . 0.0 110.206 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.82 -29.7 67.04 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.76 79.54 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.206 1.002 . . . . 0.0 111.957 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -76.45 -29.63 57.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.79 -54.06 41.11 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.217 1.007 . . . . 0.0 111.738 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -68.31 -33.16 73.82 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.268 0.94 . . . . 0.0 111.862 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -62.93 -28.86 70.36 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.249 -0.907 . . . . 0.0 112.964 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.46 -37.34 70.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.762 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.6 -22.85 47.65 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.474 1.034 . . . . 0.0 113.019 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.36 -50.53 13.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.145 0.978 . . . . 0.0 111.346 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.78 -22.58 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -29.78 60.11 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.355 -1.466 . . . . 0.0 111.761 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -65.41 -38.32 89.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.066 0.946 . . . . 0.0 111.473 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.06 -60.36 3.33 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.835 1.654 . . . . 0.0 111.626 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.29 72.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.024 . . . . 0.0 112.408 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -62.56 -37.11 84.88 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.07 0.85 . . . . 0.0 113.012 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.29 -50.41 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.681 1.193 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -73.87 -25.47 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.875 1.67 . . . . 0.0 113.166 176.76 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.9 t30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.78 -35.79 71.28 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 120.376 1.444 . . . . 0.0 114.122 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.51 -55.93 20.13 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.064 0.946 . . . . 0.0 111.549 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -61.26 -28.52 69.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -31.85 66.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.31 1.044 . . . . 0.0 113.314 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.12 -36.79 16.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.023 1.329 . . . . 0.0 112.055 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -75.2 -0.96 21.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.841 1.256 . . . . 0.0 113.65 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.63 -33.49 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.448 -1.407 . . . . 0.0 113.077 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -65.8 -34.78 78.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.582 1.153 . . . . 0.0 112.709 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -69.58 -40.16 76.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.371 1.469 . . . . 0.0 110.482 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -74.2 -28.73 61.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.56 84.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.087 0.955 . . . . 0.0 111.848 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.7 p -71.64 -27.91 63.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.48 -56.2 12.06 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.191 0.996 . . . . 0.0 111.528 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -67.2 -33.3 75.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.408 1.004 . . . . 0.0 111.642 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -63.77 -29.37 70.59 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.267 -0.896 . . . . 0.0 113.122 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.37 -37.49 70.13 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.803 1.183 . . . . 0.0 112.675 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.96 -22.89 41.66 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.42 1.009 . . . . 0.0 113.161 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.32 -51.09 12.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.19 0.996 . . . . 0.0 111.54 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.69 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -27.65 59.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.507 -1.37 . . . . 0.0 111.748 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.53 -33.57 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.24 -0.886 . . . . 0.0 112.042 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -67.26 -59.61 3.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.919 1.688 . . . . 0.0 111.553 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -48.21 73.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.243 1.017 . . . . 0.0 111.969 175.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -62.51 -37.38 85.84 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.949 0.795 . . . . 0.0 112.783 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.55 -49.73 76.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 112.499 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -72.5 -27.69 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.687 1.595 . . . . 0.0 114.398 174.342 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.39 -26.74 60.29 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 119.881 -1.762 . . . . 0.0 113.558 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -19.33 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.131 0.972 . . . . 0.0 113.002 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.24 -34.68 78.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.313 1.045 . . . . 0.0 111.582 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 8' ' ' LEU . 11.0 mp -60.91 -22.95 64.84 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.444 1.097 . . . . 0.0 112.939 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.31 -33.61 20.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.935 1.294 . . . . 0.0 111.489 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.23 -3.1 34.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.855 1.662 . . . . 0.0 113.046 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mp -49.1 -38.05 23.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.271 -1.518 . . . . 0.0 113.207 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -65.07 -35.83 82.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.961 0.904 . . . . 0.0 112.657 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -66.09 -46.54 77.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.444 1.498 . . . . 0.0 109.826 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.67 -30.28 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.68 81.32 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 111.542 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.89 63.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.33 -55.72 22.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.037 0.935 . . . . 0.0 111.698 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -69.34 -32.75 72.04 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.402 1.001 . . . . 0.0 111.674 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -63.73 -29.1 70.36 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.224 -0.923 . . . . 0.0 113.054 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -56.38 -37.61 70.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.747 1.158 . . . . 0.0 112.4 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -56.95 -22.71 39.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 113.043 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -76.37 -50.97 12.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.283 1.033 . . . . 0.0 111.586 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -22.88 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -27.85 59.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.393 -1.442 . . . . 0.0 111.859 175.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.2 -33.42 73.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.814 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -66.54 -60.02 3.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.952 1.701 . . . . 0.0 111.535 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -49.79 68.27 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.097 0.959 . . . . 0.0 111.945 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -61.59 -36.6 81.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.24 65.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.419 1.088 . . . . 0.0 112.046 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.5 pt -70.68 -24.52 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.027 1.731 . . . . 0.0 113.526 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 119.468 -0.301 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.01 -26.17 43.26 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.69 -1.256 . . . . 0.0 114.008 176.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -57.4 12.93 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.764 1.225 . . . . 0.0 111.442 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.77 -34.08 69.19 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.1 -23.37 67.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.31 1.444 . . . . 0.0 113.269 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -94.66 -35.38 12.21 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.386 1.474 . . . . 0.0 110.912 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -74.72 0.14 16.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.705 1.602 . . . . 0.0 114.285 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -52.61 -34.14 49.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.437 1.471 . . . . 0.0 112.8 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.29 -38.82 92.39 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.565 1.146 . . . . 0.0 113.103 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.38 -47.96 74.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.205 1.402 . . . . 0.0 110.369 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -68.67 -30.39 69.06 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.75 87.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.113 0.965 . . . . 0.0 111.884 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.54 -29.06 63.25 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.89 -54.95 17.15 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.389 1.076 . . . . 0.0 111.527 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -65.35 -34.28 77.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.255 0.934 . . . . 0.0 111.662 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.85 -28.52 70.08 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.236 -0.915 . . . . 0.0 113.073 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -57.28 -37.87 73.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.969 1.258 . . . . 0.0 112.77 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.12 -23.71 49.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.582 1.083 . . . . 0.0 113.129 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -76.41 -50.99 12.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.977 0.911 . . . . 0.0 111.571 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tt -77.48 -22.13 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -27.89 62.46 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.229 -1.544 . . . . 0.0 112.149 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -68.42 -32.15 71.99 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.024 175.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -67.6 -59.37 3.4 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.742 1.617 . . . . 0.0 111.528 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -48.17 74.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.203 1.001 . . . . 0.0 112.049 175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -62.21 -36.85 83.22 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.053 0.842 . . . . 0.0 112.75 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -60.53 -49.98 75.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.525 1.13 . . . . 0.0 112.57 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -73.31 -23.14 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.816 1.646 . . . . 0.0 113.792 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -49.98 56.89 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 119.958 -1.714 . . . . 0.0 111.436 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -56.23 -32.32 64.35 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.21 1.404 . . . . 0.0 113.589 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.26 -54.34 48.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.631 1.572 . . . . 0.0 112.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.65 -31.26 71.36 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.718 -0.614 . . . . 0.0 111.546 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.23 2.63 46.34 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.21 1.804 . . . . 0.0 113.9 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.15 0.68 1.85 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.802 -1.186 . . . . 0.0 113.545 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 mt -49.73 -37.44 29.36 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.547 -1.346 . . . . 0.0 112.75 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -65.69 -36.69 84.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.419 1.088 . . . . 0.0 112.862 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.03 -47.06 72.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.712 1.605 . . . . 0.0 110.051 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.42 -29.3 67.0 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.88 77.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.051 0.941 . . . . 0.0 111.435 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -71.42 -27.34 63.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.23 -55.53 20.95 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.556 1.071 . . . . 0.0 111.59 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.53 -32.9 72.0 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.297 0.953 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -63.55 -29.12 70.43 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.206 -0.934 . . . . 0.0 113.199 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -56.03 -37.53 69.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.703 1.138 . . . . 0.0 112.682 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.13 -23.07 44.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.454 1.025 . . . . 0.0 113.041 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -50.89 13.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.142 0.977 . . . . 0.0 111.216 175.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.38 -23.33 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -27.59 56.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.401 -1.437 . . . . 0.0 112.049 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.93 -37.16 81.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.608 0.763 . . . . 0.0 111.312 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -63.91 -60.0 3.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.26 1.824 . . . . 0.0 111.957 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -50.24 68.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.775 0.83 . . . . 0.0 111.826 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -61.12 -35.67 77.67 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.072 0.851 . . . . 0.0 113.007 175.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.62 -50.64 71.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.662 1.185 . . . . 0.0 112.303 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -72.6 -28.38 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.255 1.822 . . . . 0.0 114.025 179.47 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 119.975 -0.06 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -37.02 18.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.259 1.023 . . . . 0.0 112.56 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -59.26 -51.46 69.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.312 1.045 . . . . 0.0 112.107 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.16 -32.08 67.86 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.691 -0.631 . . . . 0.0 112.554 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.62 -26.19 67.83 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.27 1.428 . . . . 0.0 112.889 177.347 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.81 -32.62 23.24 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.145 1.378 . . . . 0.0 111.117 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.01 -0.76 32.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.973 1.309 . . . . 0.0 113.328 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.2 mp -49.37 -37.71 25.87 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.577 -1.327 . . . . 0.0 112.997 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -63.44 -37.21 86.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.073 0.851 . . . . 0.0 112.96 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.27 88.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.543 1.137 . . . . 0.0 109.567 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -71.9 -29.44 64.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.86 81.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.334 1.054 . . . . 0.0 111.276 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -28.8 61.09 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.67 -56.29 16.88 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.113 0.965 . . . . 0.0 111.56 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -67.87 -32.67 73.34 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.263 0.938 . . . . 0.0 111.575 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.52 -30.69 71.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.219 -0.926 . . . . 0.0 112.923 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.06 -36.5 68.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.493 1.042 . . . . 0.0 112.687 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -57.75 -22.7 48.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.119 0.872 . . . . 0.0 112.954 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -76.41 -50.9 12.95 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.213 -0.929 . . . . 0.0 111.581 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -22.74 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.17 -29.65 61.13 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.31 -1.494 . . . . 0.0 111.775 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -67.96 -31.39 71.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.211 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -67.96 -60.04 2.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.614 1.566 . . . . 0.0 111.439 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -49.46 70.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.019 0.928 . . . . 0.0 112.041 175.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -62.92 -32.58 73.9 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.85 -51.91 62.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.23 1.012 . . . . 0.0 111.9 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 pt -71.29 -30.38 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.254 1.422 . . . . 0.0 114.432 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 p30 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.356 -0.831 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.77 -38.82 57.09 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.61 1.55 . . . . 0.0 114.612 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -57.89 -45.91 85.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.832 1.253 . . . . 0.0 111.714 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.53 -37.5 77.12 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.677 -0.639 . . . . 0.0 112.369 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -22.81 53.66 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.588 1.155 . . . . 0.0 113.914 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.66 -36.26 11.28 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.341 1.856 . . . . 0.0 111.104 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.02 -0.44 21.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.125 1.77 . . . . 0.0 113.371 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.08 -33.26 51.32 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.649 1.568 . . . . 0.0 112.889 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.6 -36.45 83.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.088 0.955 . . . . 0.0 112.937 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -47.9 70.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.707 1.603 . . . . 0.0 109.629 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.04 -29.98 68.24 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.22 78.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.306 1.042 . . . . 0.0 111.739 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 t -72.42 -31.54 65.59 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.78 -56.1 20.57 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.039 0.936 . . . . 0.0 111.909 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.27 -32.73 73.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.339 0.972 . . . . 0.0 111.784 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -63.61 -29.93 71.11 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.222 -0.924 . . . . 0.0 113.062 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.76 -37.03 67.98 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.602 1.092 . . . . 0.0 112.69 175.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.41 -22.52 43.59 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.41 1.004 . . . . 0.0 112.982 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.46 -50.88 12.93 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.059 0.944 . . . . 0.0 111.059 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -22.87 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.55 -29.81 59.64 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.36 -1.463 . . . . 0.0 111.719 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -66.3 -38.25 87.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.819 0.848 . . . . 0.0 111.424 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -63.34 -60.08 3.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.794 1.638 . . . . 0.0 111.794 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -50.71 68.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.717 0.807 . . . . 0.0 112.055 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -59.43 -36.82 76.63 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.432 1.015 . . . . 0.0 113.526 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.27 -49.96 74.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.797 1.239 . . . . 0.0 112.367 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -74.09 -25.49 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.411 1.884 . . . . 0.0 114.087 173.068 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.61 -27.66 51.3 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.214 -1.554 . . . . 0.0 113.61 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.52 -47.79 68.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.326 1.05 . . . . 0.0 111.536 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.17 -33.22 65.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.338 1.055 . . . . 0.0 113.178 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.43 -29.15 69.77 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.277 1.431 . . . . 0.0 113.623 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -88.16 -35.26 17.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.664 1.186 . . . . 0.0 111.099 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.52 -1.81 22.99 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.935 1.294 . . . . 0.0 113.424 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.16 -36.16 29.06 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.581 -1.324 . . . . 0.0 113.06 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.89 -37.04 86.3 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.643 1.177 . . . . 0.0 112.801 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -43.67 85.98 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.342 1.457 . . . . 0.0 109.93 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -71.22 -29.77 65.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.32 81.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.248 1.019 . . . . 0.0 111.384 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -28.29 63.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.94 -55.54 21.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.512 1.051 . . . . 0.0 111.64 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.62 -32.84 71.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.975 . . . . 0.0 111.862 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -63.76 -29.02 70.28 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.186 -0.946 . . . . 0.0 113.115 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.06 -37.25 69.04 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.766 1.166 . . . . 0.0 112.536 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -57.41 -22.62 44.27 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.426 1.012 . . . . 0.0 113.099 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -76.5 -50.81 13.05 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.902 0.881 . . . . 0.0 111.25 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.17 -23.12 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -26.99 58.34 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.457 -1.402 . . . . 0.0 111.986 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.27 -33.83 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.874 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -66.86 -59.63 3.36 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.079 1.752 . . . . 0.0 111.425 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.72 66.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.978 0.911 . . . . 0.0 111.767 175.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.61 -35.99 77.5 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.2 -50.93 71.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.274 1.03 . . . . 0.0 112.163 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -72.49 -28.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mttm . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.817 1.647 . . . . 0.0 113.368 176.55 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -34.55 75.1 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 119.998 -1.689 . . . . 0.0 113.371 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.38 -42.98 87.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.988 0.915 . . . . 0.0 112.51 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -57.58 -36.15 71.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.592 -0.692 . . . . 0.0 112.055 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -20.08 28.55 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.486 1.514 . . . . 0.0 114.657 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.79 -34.69 9.73 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.898 1.679 . . . . 0.0 111.046 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.38 0.74 21.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.752 1.621 . . . . 0.0 113.557 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.72 -35.81 56.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.425 1.466 . . . . 0.0 112.42 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.2 -37.47 87.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.96 0.904 . . . . 0.0 113.237 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -45.41 86.42 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.597 1.159 . . . . 0.0 110.046 174.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -73.1 -29.59 63.03 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.85 78.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.512 1.125 . . . . 0.0 111.452 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -74.44 -30.13 61.77 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.11 -56.22 18.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 111.781 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -68.54 -32.01 71.63 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.362 0.983 . . . . 0.0 111.632 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.14 -31.13 72.19 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.249 -0.907 . . . . 0.0 113.116 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.34 -36.65 66.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.211 0.914 . . . . 0.0 112.848 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -58.06 -22.15 48.89 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.364 0.983 . . . . 0.0 113.067 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.69 -51.27 11.81 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.124 0.97 . . . . 0.0 111.036 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.7 -23.67 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -55.66 -29.2 58.9 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.396 -1.44 . . . . 0.0 111.7 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.5 -39.0 88.46 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.925 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -61.88 -60.84 3.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.367 1.867 . . . . 0.0 112.06 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -49.91 68.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.201 1.0 . . . . 0.0 111.759 176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.35 -35.23 78.47 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 118.937 0.79 . . . . 0.0 112.827 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.92 -52.72 62.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.862 1.265 . . . . 0.0 111.645 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -70.2 -27.7 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.751 1.62 . . . . 0.0 113.08 175.597 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -65.34 -32.11 73.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.34 1.427 . . . . 0.0 113.868 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -57.89 -58.85 6.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.009 1.323 . . . . 0.0 112.52 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.47 -32.59 72.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.658 -0.651 . . . . 0.0 112.438 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.12 -31.76 72.98 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.414 1.485 . . . . 0.0 112.433 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.8 -40.01 23.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.748 1.219 . . . . 0.0 111.08 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -74.8 0.16 16.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.4 mt -51.75 -36.8 48.63 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.407 1.458 . . . . 0.0 113.075 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.9 -39.15 90.98 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.935 0.894 . . . . 0.0 113.103 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -43.52 91.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.455 1.502 . . . . 0.0 110.912 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -72.44 -28.84 63.2 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.92 86.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 111.254 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -31.97 71.69 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.97 -55.93 16.21 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.156 0.982 . . . . 0.0 111.684 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -67.68 -33.14 74.32 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.3 0.955 . . . . 0.0 111.587 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -63.56 -29.96 71.15 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.117 -0.989 . . . . 0.0 113.094 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.82 -37.38 68.6 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.689 1.131 . . . . 0.0 112.768 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -56.99 -22.98 42.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.42 1.009 . . . . 0.0 113.124 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -76.23 -50.82 13.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.089 0.955 . . . . 0.0 111.595 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.53 -23.29 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -28.61 58.77 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.465 -1.397 . . . . 0.0 111.754 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.9 -31.01 69.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.052 0.941 . . . . 0.0 112.773 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.74 -59.37 2.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.221 1.808 . . . . 0.0 111.664 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -50.7 66.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.837 0.855 . . . . 0.0 111.705 175.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -60.95 -35.45 76.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.102 0.865 . . . . 0.0 113.118 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.64 64.28 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.096 -1.003 . . . . 0.0 111.797 175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.6 pt -71.49 -27.52 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mttm . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.085 1.754 . . . . 0.0 112.597 -179.085 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.2 m120 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -65.33 -36.59 84.49 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.348 -0.845 . . . . 0.0 112.67 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -30.9 71.69 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.2 -31.94 72.53 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.375 -0.828 . . . . 0.0 111.715 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -21.34 62.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.667 1.187 . . . . 0.0 113.74 176.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.09 -36.82 10.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.779 1.631 . . . . 0.0 111.072 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.97 -1.36 19.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.248 1.419 . . . . 0.0 113.705 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -51.1 -36.37 40.03 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.256 1.389 . . . . 0.0 112.89 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.9 -41.0 97.39 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.334 1.054 . . . . 0.0 113.011 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -45.48 90.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.263 1.425 . . . . 0.0 110.43 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -71.25 -28.92 64.52 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.01 72.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.415 1.086 . . . . 0.0 110.929 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -67.79 -28.44 67.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.21 -55.25 22.97 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.644 1.111 . . . . 0.0 111.429 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -69.15 -32.9 72.57 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.292 0.951 . . . . 0.0 111.818 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.45 -30.86 71.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.307 -0.871 . . . . 0.0 113.284 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -55.48 -37.79 68.25 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.555 1.07 . . . . 0.0 112.811 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -56.96 -23.06 42.91 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.39 0.995 . . . . 0.0 113.041 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.45 -51.02 12.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.224 1.009 . . . . 0.0 111.424 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.19 -22.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -56.29 -29.04 60.65 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.384 -1.448 . . . . 0.0 111.865 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -68.7 -32.09 71.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.332 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.57 -59.69 3.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.61 1.564 . . . . 0.0 111.401 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -50.71 66.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.933 0.893 . . . . 0.0 111.698 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -59.71 -36.52 76.7 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.213 0.915 . . . . 0.0 113.396 174.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.51 -48.6 80.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.999 0.92 . . . . 0.0 112.494 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -75.46 -25.25 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.086 1.754 . . . . 0.0 113.762 173.327 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.983 -0.055 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -77.93 -31.76 51.21 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.889 -1.132 . . . . 0.0 112.982 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -59.57 -50.87 72.21 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.416 1.086 . . . . 0.0 112.371 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.74 -30.33 68.76 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -31.02 68.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.656 1.583 . . . . 0.0 112.189 177.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.8 mt -89.59 -38.36 14.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.824 1.649 . . . . 0.0 112.112 174.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.44 -0.9 21.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.956 1.302 . . . . 0.0 113.822 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.16 -35.42 35.83 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 112.474 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.13 -39.04 93.53 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.458 1.503 . . . . 0.0 112.821 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -44.88 85.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.575 1.55 . . . . 0.0 110.071 174.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.82 -29.44 66.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.46 81.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.074 0.949 . . . . 0.0 111.234 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -27.86 60.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.48 -55.54 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 111.543 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.93 -32.91 72.87 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.347 0.976 . . . . 0.0 111.405 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -30.56 71.65 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.224 -0.923 . . . . 0.0 112.609 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.48 -37.68 68.13 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.592 1.087 . . . . 0.0 112.601 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -56.71 -23.26 41.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.321 0.964 . . . . 0.0 112.959 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -76.38 -49.69 16.15 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.02 0.928 . . . . 0.0 112.166 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -22.7 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.39 -29.71 59.01 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.489 -1.382 . . . . 0.0 111.719 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.43 -33.25 73.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.74 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -66.89 -59.81 3.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.76 1.624 . . . . 0.0 111.646 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -49.72 69.24 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.739 0.816 . . . . 0.0 111.871 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.28 -35.85 78.43 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.6 -50.6 71.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.327 1.051 . . . . 0.0 112.199 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -73.09 -26.79 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mttm . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.416 1.887 . . . . 0.0 113.727 175.222 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -72.13 -39.02 69.11 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.027 -1.046 . . . . 0.0 112.593 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.43 -26.06 68.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.506 1.122 . . . . 0.0 113.068 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.62 -42.31 92.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.199 -0.938 . . . . 0.0 111.208 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.8 tt -59.69 -25.26 64.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.601 1.16 . . . . 0.0 112.91 178.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -83.39 -33.39 25.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.776 1.23 . . . . 0.0 111.478 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -78.41 -1.39 33.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.816 1.646 . . . . 0.0 113.507 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mp -49.32 -36.63 21.73 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.364 -1.46 . . . . 0.0 113.193 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -65.19 -38.22 89.8 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.038 0.935 . . . . 0.0 112.633 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -64.57 -44.77 89.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.643 1.577 . . . . 0.0 110.159 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.22 -30.35 66.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.41 -44.52 80.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.184 0.994 . . . . 0.0 111.349 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -28.67 62.99 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.83 -55.43 23.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.323 0.965 . . . . 0.0 111.514 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -69.42 -32.09 70.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.248 0.931 . . . . 0.0 111.696 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.14 -30.84 71.91 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.232 -0.917 . . . . 0.0 113.065 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -55.2 -37.61 67.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.467 1.03 . . . . 0.0 112.703 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.41 -22.51 43.5 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.543 1.065 . . . . 0.0 113.094 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.48 -50.95 12.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.02 0.928 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -23.04 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -27.97 58.56 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.432 -1.417 . . . . 0.0 112.005 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -71.0 -32.76 69.66 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.039 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -65.61 -59.21 4.18 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.52 1.528 . . . . 0.0 111.23 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.61 68.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.427 0.691 . . . . 0.0 111.921 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -60.14 -37.11 79.1 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.0 -50.16 74.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.63 1.172 . . . . 0.0 112.45 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -73.49 -26.79 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mttp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.926 177.161 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.89 -28.54 66.26 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.789 1.631 . . . . 0.0 114.381 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.05 -39.58 95.15 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.329 0.651 . . . . 0.0 111.829 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.58 -38.05 71.45 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.412 -0.805 . . . . 0.0 111.735 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -19.8 53.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.07 1.348 . . . . 0.0 114.437 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.7 mt -100.79 -34.91 9.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.994 1.718 . . . . 0.0 111.372 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -75.69 -0.1 19.61 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.551 1.54 . . . . 0.0 113.029 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.7 -36.9 48.49 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.277 -1.514 . . . . 0.0 112.825 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.4 -37.79 87.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.571 1.148 . . . . 0.0 113.131 175.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -46.67 78.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.365 1.466 . . . . 0.0 110.068 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -69.85 -29.56 66.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.01 82.95 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.229 1.012 . . . . 0.0 111.379 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -71.36 -31.36 67.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.26 -55.4 28.71 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.892 0.877 . . . . 0.0 111.831 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -70.01 -32.72 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.347 0.976 . . . . 0.0 111.79 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -63.03 -29.31 70.72 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.128 -0.983 . . . . 0.0 112.933 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -56.93 -37.13 71.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.641 1.109 . . . . 0.0 112.172 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -56.93 -22.86 40.96 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.16 0.891 . . . . 0.0 113.081 175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -76.53 -50.83 12.96 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.084 0.954 . . . . 0.0 111.391 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -23.13 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.5 -29.81 59.5 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.485 -1.385 . . . . 0.0 111.642 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -32.11 71.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.447 175.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -68.33 -59.14 3.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.517 1.527 . . . . 0.0 111.465 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.6 67.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.849 0.86 . . . . 0.0 111.685 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.65 -35.89 77.33 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.319 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.07 -51.76 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.056 0.943 . . . . 0.0 112.016 175.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.54 -28.66 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.427 1.491 . . . . 0.0 113.094 176.618 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -40.46 60.92 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.717 1.144 . . . . 0.0 113.404 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.96 -36.78 70.71 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.32 88.9 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.531 1.06 . . . . 0.0 111.428 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -19.09 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.178 1.391 . . . . 0.0 113.6 176.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.64 -37.58 12.34 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.489 1.515 . . . . 0.0 111.068 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.6 -2.57 20.46 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.54 1.936 . . . . 0.0 112.972 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.86 -35.6 33.44 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.348 -1.47 . . . . 0.0 113.214 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.89 -36.39 84.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.365 1.066 . . . . 0.0 112.74 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -44.89 81.21 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.626 1.57 . . . . 0.0 110.147 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -70.78 -29.56 65.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.02 78.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.973 0.909 . . . . 0.0 111.224 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -29.22 67.04 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.66 -55.07 22.43 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.978 0.911 . . . . 0.0 111.402 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -68.73 -32.63 72.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.252 0.933 . . . . 0.0 111.62 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.65 -31.12 71.93 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.245 -0.909 . . . . 0.0 113.012 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.5 -37.3 67.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.572 1.078 . . . . 0.0 113.066 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -57.38 -22.77 44.98 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.513 1.051 . . . . 0.0 113.092 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -50.78 13.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.346 1.058 . . . . 0.0 111.195 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.12 -22.36 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.64 -30.06 60.33 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.381 -1.449 . . . . 0.0 111.714 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -64.78 -38.51 91.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 111.565 174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.29 -59.98 3.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.858 1.663 . . . . 0.0 111.682 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -50.65 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.81 0.844 . . . . 0.0 111.859 176.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -59.39 -37.16 77.25 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.383 0.992 . . . . 0.0 113.214 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.75 -48.99 79.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.418 1.087 . . . . 0.0 112.42 175.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.4 pt -75.04 -25.22 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mttm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.311 1.844 . . . . 0.0 114.056 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -59.71 -26.43 65.6 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 120.399 1.454 . . . . 0.0 114.15 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.44 -41.27 60.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 112.226 174.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.67 -47.9 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 0.0 111.933 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.64 -29.1 64.29 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 112.488 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -86.54 -38.13 17.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.913 1.285 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.6 1.52 14.18 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.58 1.152 . . . . 0.0 113.685 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.96 -35.04 44.87 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.007 1.73 . . . . 0.0 112.647 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.33 -36.17 83.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.237 1.015 . . . . 0.0 112.802 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -48.7 69.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.441 1.496 . . . . 0.0 109.341 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.33 -29.64 67.51 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.56 78.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.353 1.061 . . . . 0.0 111.369 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -28.86 65.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.14 -55.33 22.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.374 0.988 . . . . 0.0 111.43 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.11 -32.33 71.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.237 0.926 . . . . 0.0 111.632 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.84 -31.26 72.24 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.17 -37.6 67.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.437 1.017 . . . . 0.0 112.806 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.51 -22.27 43.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.44 1.018 . . . . 0.0 113.196 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -76.47 -50.88 12.93 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.98 0.912 . . . . 0.0 111.247 175.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.79 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -27.18 57.0 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.519 -1.363 . . . . 0.0 111.927 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -68.83 -34.28 75.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.893 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.43 -59.82 3.32 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.966 1.706 . . . . 0.0 111.299 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -50.73 65.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.258 1.023 . . . . 0.0 111.943 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.2 t90 -60.87 -34.99 75.47 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.49 -50.73 70.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.337 1.055 . . . . 0.0 111.917 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -72.89 -26.39 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.611 1.565 . . . . 0.0 113.033 174.825 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -37.79 80.8 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 121.392 1.905 . . . . 0.0 113.757 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.13 -44.84 88.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.302 1.041 . . . . 0.0 113.217 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.03 -33.3 74.34 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.36 -0.838 . . . . 0.0 112.656 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.78 -29.07 70.32 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.788 1.235 . . . . 0.0 113.134 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.72 -35.95 22.16 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.694 1.198 . . . . 0.0 111.996 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.94 -0.68 22.32 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.288 1.435 . . . . 0.0 113.745 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -52.77 -35.16 56.05 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.226 -1.546 . . . . 0.0 113.276 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.44 -35.88 80.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.351 1.061 . . . . 0.0 113.054 175.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.7 65.76 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 110.021 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -67.8 -29.04 68.12 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.63 79.45 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 111.496 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.8 -55.53 22.32 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.312 0.96 . . . . 0.0 111.643 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.77 -32.96 71.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.376 0.989 . . . . 0.0 111.735 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.55 -29.08 70.39 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.204 -0.935 . . . . 0.0 113.126 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -56.08 -37.91 69.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.673 1.124 . . . . 0.0 112.533 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -56.75 -23.29 41.81 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.41 1.005 . . . . 0.0 113.017 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.46 -50.92 12.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.954 0.901 . . . . 0.0 111.713 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -22.69 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.15 -27.96 62.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.426 -1.421 . . . . 0.0 112.04 176.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.93 -31.15 68.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.017 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.44 -60.0 2.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 111.451 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -50.68 65.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 175.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -60.53 -35.73 76.7 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.72 -51.06 69.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.01 0.924 . . . . 0.0 112.031 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 pt -72.32 -27.39 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mttm . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.161 1.784 . . . . 0.0 113.304 175.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.69 -24.96 64.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.653 1.181 . . . . 0.0 113.837 -176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -58.14 -31.38 67.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.859 1.264 . . . . 0.0 112.149 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.6 -45.09 94.47 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.891 -1.131 . . . . 0.0 111.902 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 8' ' ' LEU . 7.1 mp -61.92 -24.07 66.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.891 0.876 . . . . 0.0 112.823 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.38 -38.12 30.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.966 0.907 . . . . 0.0 111.425 175.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.86 -1.96 21.72 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.919 1.688 . . . . 0.0 114.403 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.5 mp -50.23 -35.49 26.97 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.284 -1.51 . . . . 0.0 113.521 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.058 0.845 . . . . 0.0 113.127 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -70.77 -45.91 63.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.716 1.607 . . . . 0.0 109.741 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -68.67 -29.55 68.04 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.27 75.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.341 1.056 . . . . 0.0 111.311 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -29.2 67.87 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 174.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.54 -55.65 19.13 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.429 1.013 . . . . 0.0 111.636 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -69.22 -33.14 72.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.331 0.968 . . . . 0.0 111.778 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -63.51 -28.75 70.17 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.232 -0.917 . . . . 0.0 113.114 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -56.33 -37.35 69.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.884 1.22 . . . . 0.0 112.791 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -57.57 -22.33 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.39 0.996 . . . . 0.0 113.078 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.49 -50.7 13.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.202 1.001 . . . . 0.0 111.205 174.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.22 -22.58 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -28.14 60.05 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.404 -1.435 . . . . 0.0 112.108 175.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -69.37 -32.36 71.35 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 112.04 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -67.23 -59.45 3.42 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.662 1.585 . . . . 0.0 111.471 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -49.3 70.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 111.885 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.49 -36.61 80.94 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.073 0.851 . . . . 0.0 113.076 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.19 -50.57 72.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 175.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -72.1 -22.16 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.449 1.9 . . . . 0.0 114.153 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.9 t30 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 -44.59 73.93 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.947 -1.096 . . . . 0.0 113.184 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -41.45 69.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.967 1.307 . . . . 0.0 112.805 175.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.61 -48.77 80.33 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.307 0.958 . . . . 0.0 111.891 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.14 -21.52 66.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.47 -35.4 19.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.818 1.247 . . . . 0.0 111.872 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.23 -0.77 17.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.213 1.805 . . . . 0.0 113.261 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.47 -35.24 28.09 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.537 -1.352 . . . . 0.0 113.227 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.53 -35.28 80.4 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.356 0.98 . . . . 0.0 112.766 175.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -45.1 77.42 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.25 1.42 . . . . 0.0 109.83 174.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -69.28 -30.52 68.64 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.94 76.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.165 0.986 . . . . 0.0 112.26 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.32 -29.36 47.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 174.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.01 -53.69 49.91 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.185 0.994 . . . . 0.0 111.816 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -69.0 -33.17 73.24 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.25 0.932 . . . . 0.0 111.848 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.03 -29.27 70.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.131 -0.981 . . . . 0.0 112.894 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.03 -37.64 69.47 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.69 1.132 . . . . 0.0 112.67 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.19 -22.68 42.44 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.408 1.004 . . . . 0.0 113.208 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -76.39 -51.77 11.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 111.08 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -22.82 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -56.07 -29.21 60.2 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.576 -1.328 . . . . 0.0 111.852 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -70.05 -30.61 67.92 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.501 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -67.66 -59.54 3.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.338 1.455 . . . . 0.0 111.339 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -51.29 64.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.051 0.94 . . . . 0.0 111.457 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -59.89 -35.59 75.17 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.52 -50.84 69.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.735 0.814 . . . . 0.0 111.666 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -72.64 -26.9 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mttm . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.906 1.683 . . . . 0.0 112.771 175.764 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.456 0.169 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -28.81 70.18 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -47.69 78.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.209 1.403 . . . . 0.0 112.456 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.2 -34.38 77.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.762 -0.586 . . . . 0.0 112.328 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.08 65.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.658 1.183 . . . . 0.0 112.984 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.85 2.73 52.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.667 1.987 . . . . 0.0 113.031 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -67.99 0.75 3.22 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.089 1.355 . . . . 0.0 113.494 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -48.99 -39.03 25.07 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.494 -1.379 . . . . 0.0 112.713 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.12 93.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.085 1.354 . . . . 0.0 113.107 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -46.96 79.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.774 1.629 . . . . 0.0 110.279 175.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -68.29 -28.9 67.58 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.8 81.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.955 0.902 . . . . 0.0 111.17 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 t -69.14 -31.98 71.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.571 0.748 . . . . 0.0 112.908 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.9 -54.57 40.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.267 0.94 . . . . 0.0 111.858 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.89 -32.23 70.46 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.259 0.936 . . . . 0.0 111.713 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.85 -30.89 71.85 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.282 -0.886 . . . . 0.0 112.98 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -55.63 -36.2 66.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.406 1.003 . . . . 0.0 113.067 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -58.61 -22.14 55.51 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.312 0.96 . . . . 0.0 112.907 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -76.45 -50.96 12.76 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.063 0.945 . . . . 0.0 110.902 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.85 -22.78 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.12 -29.62 60.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.425 -1.422 . . . . 0.0 111.84 175.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.32 -31.48 70.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.269 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -67.82 -59.7 3.09 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.528 1.531 . . . . 0.0 111.345 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.13 68.79 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.953 0.901 . . . . 0.0 111.87 175.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -60.68 -35.62 76.7 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.72 -51.32 68.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.044 0.937 . . . . 0.0 112.003 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -72.66 -26.79 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.775 1.63 . . . . 0.0 112.776 175.38 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.6 t30 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -28.62 42.01 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 120.512 1.505 . . . . 0.0 114.92 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -32.76 71.27 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.518 -0.739 . . . . 0.0 112.231 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.98 -41.67 88.13 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.406 -0.809 . . . . 0.0 111.8 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.03 -24.4 64.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 112.892 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.14 -39.08 10.76 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.922 1.689 . . . . 0.0 111.172 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -74.54 1.36 12.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.918 1.687 . . . . 0.0 114.049 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.3 -34.73 34.49 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.62 1.555 . . . . 0.0 112.431 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.27 -41.09 97.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.809 1.244 . . . . 0.0 112.965 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.3 -47.02 84.02 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.51 1.524 . . . . 0.0 110.206 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.82 -29.7 67.04 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.76 79.54 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.206 1.002 . . . . 0.0 111.957 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -76.45 -29.63 57.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.79 -54.06 41.11 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.217 1.007 . . . . 0.0 111.738 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -68.31 -33.16 73.82 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.268 0.94 . . . . 0.0 111.862 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -62.93 -28.86 70.36 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.249 -0.907 . . . . 0.0 112.964 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.46 -37.34 70.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.762 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.6 -22.85 47.65 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.474 1.034 . . . . 0.0 113.019 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.36 -50.53 13.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.145 0.978 . . . . 0.0 111.346 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.78 -22.58 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -29.78 60.11 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.355 -1.466 . . . . 0.0 111.761 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -65.41 -38.32 89.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.066 0.946 . . . . 0.0 111.473 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.06 -60.36 3.33 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.835 1.654 . . . . 0.0 111.626 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.29 72.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.024 . . . . 0.0 112.408 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -62.56 -37.11 84.88 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.07 0.85 . . . . 0.0 113.012 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.29 -50.41 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.681 1.193 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -73.87 -25.47 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.875 1.67 . . . . 0.0 113.166 176.76 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt . . . . . 0 N--CA 1.469 0.518 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -75.2 -0.96 21.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.841 1.256 . . . . 0.0 113.65 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.63 -33.49 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.448 -1.407 . . . . 0.0 113.077 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -65.8 -34.78 78.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.582 1.153 . . . . 0.0 112.709 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -69.58 -40.16 76.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.371 1.469 . . . . 0.0 110.482 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -74.2 -28.73 61.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.56 84.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.087 0.955 . . . . 0.0 111.848 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.7 p -71.64 -27.91 63.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.48 -56.2 12.06 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.191 0.996 . . . . 0.0 111.528 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -67.2 -33.3 75.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.408 1.004 . . . . 0.0 111.642 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -63.77 -29.37 70.59 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.267 -0.896 . . . . 0.0 113.122 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.37 -37.49 70.13 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.803 1.183 . . . . 0.0 112.675 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.96 -22.89 41.66 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.42 1.009 . . . . 0.0 113.161 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.32 -51.09 12.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.19 0.996 . . . . 0.0 111.54 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.69 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -27.65 59.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.507 -1.37 . . . . 0.0 111.748 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.53 -33.57 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.24 -0.886 . . . . 0.0 112.042 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -67.26 -59.61 3.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.919 1.688 . . . . 0.0 111.553 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -48.21 73.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.243 1.017 . . . . 0.0 111.969 175.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -62.51 -37.38 85.84 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.949 0.795 . . . . 0.0 112.783 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.55 -49.73 76.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 112.499 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -72.5 -27.69 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.687 1.595 . . . . 0.0 114.398 174.342 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 CA--C 1.541 0.627 0 CA-C-O 120.692 0.282 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.23 -3.1 34.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.855 1.662 . . . . 0.0 113.046 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.1 -38.05 23.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.271 -1.518 . . . . 0.0 113.207 176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -65.07 -35.83 82.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.961 0.904 . . . . 0.0 112.657 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -66.09 -46.54 77.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.444 1.498 . . . . 0.0 109.826 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.67 -30.28 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.68 81.32 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 111.542 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.89 63.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.33 -55.72 22.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.037 0.935 . . . . 0.0 111.698 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -69.34 -32.75 72.04 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.402 1.001 . . . . 0.0 111.674 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -63.73 -29.1 70.36 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.224 -0.923 . . . . 0.0 113.054 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -56.38 -37.61 70.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.747 1.158 . . . . 0.0 112.4 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -56.95 -22.71 39.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 113.043 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -76.37 -50.97 12.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.283 1.033 . . . . 0.0 111.586 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -22.88 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -27.85 59.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.393 -1.442 . . . . 0.0 111.859 175.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.2 -33.42 73.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.814 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -66.54 -60.02 3.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.952 1.701 . . . . 0.0 111.535 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -49.79 68.27 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.097 0.959 . . . . 0.0 111.945 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -61.59 -36.6 81.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.24 65.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.419 1.088 . . . . 0.0 112.046 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.5 pt -70.68 -24.52 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.027 1.731 . . . . 0.0 113.526 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt . . . . . 0 CA--C 1.54 0.565 0 CA-C-O 120.7 0.286 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -74.72 0.14 16.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.705 1.602 . . . . 0.0 114.285 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -52.61 -34.14 49.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.437 1.471 . . . . 0.0 112.8 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.29 -38.82 92.39 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.565 1.146 . . . . 0.0 113.103 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.38 -47.96 74.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.205 1.402 . . . . 0.0 110.369 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -68.67 -30.39 69.06 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.75 87.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.113 0.965 . . . . 0.0 111.884 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.54 -29.06 63.25 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.89 -54.95 17.15 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.389 1.076 . . . . 0.0 111.527 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -65.35 -34.28 77.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.255 0.934 . . . . 0.0 111.662 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.85 -28.52 70.08 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.236 -0.915 . . . . 0.0 113.073 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -57.28 -37.87 73.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.969 1.258 . . . . 0.0 112.77 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.12 -23.71 49.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.582 1.083 . . . . 0.0 113.129 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -76.41 -50.99 12.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.977 0.911 . . . . 0.0 111.571 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tt -77.48 -22.13 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -27.89 62.46 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.229 -1.544 . . . . 0.0 112.149 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -68.42 -32.15 71.99 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.024 175.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -67.6 -59.37 3.4 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.742 1.617 . . . . 0.0 111.528 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -48.17 74.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.203 1.001 . . . . 0.0 112.049 175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -62.21 -36.85 83.22 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.053 0.842 . . . . 0.0 112.75 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -60.53 -49.98 75.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.525 1.13 . . . . 0.0 112.57 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -73.31 -23.14 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.816 1.646 . . . . 0.0 113.792 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt . . . . . 0 CA--C 1.548 0.874 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.15 0.68 1.85 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.802 -1.186 . . . . 0.0 113.545 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 mt -49.73 -37.44 29.36 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.547 -1.346 . . . . 0.0 112.75 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -65.69 -36.69 84.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.419 1.088 . . . . 0.0 112.862 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.03 -47.06 72.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.712 1.605 . . . . 0.0 110.051 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.42 -29.3 67.0 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.88 77.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.051 0.941 . . . . 0.0 111.435 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -71.42 -27.34 63.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.23 -55.53 20.95 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.556 1.071 . . . . 0.0 111.59 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.53 -32.9 72.0 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.297 0.953 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -63.55 -29.12 70.43 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.206 -0.934 . . . . 0.0 113.199 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -56.03 -37.53 69.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.703 1.138 . . . . 0.0 112.682 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.13 -23.07 44.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.454 1.025 . . . . 0.0 113.041 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -50.89 13.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.142 0.977 . . . . 0.0 111.216 175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.38 -23.33 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -27.59 56.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.401 -1.437 . . . . 0.0 112.049 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.93 -37.16 81.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.608 0.763 . . . . 0.0 111.312 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -63.91 -60.0 3.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.26 1.824 . . . . 0.0 111.957 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -50.24 68.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.775 0.83 . . . . 0.0 111.826 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -61.12 -35.67 77.67 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.072 0.851 . . . . 0.0 113.007 175.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.62 -50.64 71.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.662 1.185 . . . . 0.0 112.303 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -72.6 -28.38 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.255 1.822 . . . . 0.0 114.025 179.47 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.5 mt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.511 0.196 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.01 -0.76 32.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.973 1.309 . . . . 0.0 113.328 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -49.37 -37.71 25.87 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.577 -1.327 . . . . 0.0 112.997 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -63.44 -37.21 86.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.073 0.851 . . . . 0.0 112.96 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.27 88.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.543 1.137 . . . . 0.0 109.567 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -71.9 -29.44 64.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.86 81.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.334 1.054 . . . . 0.0 111.276 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -28.8 61.09 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.67 -56.29 16.88 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.113 0.965 . . . . 0.0 111.56 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -67.87 -32.67 73.34 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.263 0.938 . . . . 0.0 111.575 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.52 -30.69 71.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.219 -0.926 . . . . 0.0 112.923 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.06 -36.5 68.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.493 1.042 . . . . 0.0 112.687 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -57.75 -22.7 48.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.119 0.872 . . . . 0.0 112.954 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -76.41 -50.9 12.95 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.213 -0.929 . . . . 0.0 111.581 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -22.74 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.17 -29.65 61.13 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.31 -1.494 . . . . 0.0 111.775 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -67.96 -31.39 71.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.211 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -67.96 -60.04 2.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.614 1.566 . . . . 0.0 111.439 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -49.46 70.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.019 0.928 . . . . 0.0 112.041 175.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -62.92 -32.58 73.9 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.85 -51.91 62.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.23 1.012 . . . . 0.0 111.9 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 pt -71.29 -30.38 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.254 1.422 . . . . 0.0 114.432 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 CA--C 1.543 0.677 0 CA-C-O 120.656 0.265 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.02 -0.44 21.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.125 1.77 . . . . 0.0 113.371 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.08 -33.26 51.32 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.649 1.568 . . . . 0.0 112.889 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.6 -36.45 83.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.088 0.955 . . . . 0.0 112.937 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -47.9 70.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.707 1.603 . . . . 0.0 109.629 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.04 -29.98 68.24 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.22 78.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.306 1.042 . . . . 0.0 111.739 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 t -72.42 -31.54 65.59 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.78 -56.1 20.57 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.039 0.936 . . . . 0.0 111.909 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.27 -32.73 73.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.339 0.972 . . . . 0.0 111.784 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -63.61 -29.93 71.11 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.222 -0.924 . . . . 0.0 113.062 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.76 -37.03 67.98 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.602 1.092 . . . . 0.0 112.69 175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.41 -22.52 43.59 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.41 1.004 . . . . 0.0 112.982 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.46 -50.88 12.93 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.059 0.944 . . . . 0.0 111.059 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -22.87 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.55 -29.81 59.64 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.36 -1.463 . . . . 0.0 111.719 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -66.3 -38.25 87.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.819 0.848 . . . . 0.0 111.424 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -63.34 -60.08 3.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.794 1.638 . . . . 0.0 111.794 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -50.71 68.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.717 0.807 . . . . 0.0 112.055 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -59.43 -36.82 76.63 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.432 1.015 . . . . 0.0 113.526 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.27 -49.96 74.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.797 1.239 . . . . 0.0 112.367 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -74.09 -25.49 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.411 1.884 . . . . 0.0 114.087 173.068 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.484 0.183 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.52 -1.81 22.99 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.935 1.294 . . . . 0.0 113.424 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.16 -36.16 29.06 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.581 -1.324 . . . . 0.0 113.06 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.89 -37.04 86.3 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.643 1.177 . . . . 0.0 112.801 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -43.67 85.98 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.342 1.457 . . . . 0.0 109.93 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -71.22 -29.77 65.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.32 81.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.248 1.019 . . . . 0.0 111.384 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -28.29 63.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.94 -55.54 21.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.512 1.051 . . . . 0.0 111.64 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.62 -32.84 71.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.975 . . . . 0.0 111.862 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -63.76 -29.02 70.28 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.186 -0.946 . . . . 0.0 113.115 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.06 -37.25 69.04 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.766 1.166 . . . . 0.0 112.536 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -57.41 -22.62 44.27 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.426 1.012 . . . . 0.0 113.099 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -76.5 -50.81 13.05 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.902 0.881 . . . . 0.0 111.25 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.17 -23.12 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -26.99 58.34 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.457 -1.402 . . . . 0.0 111.986 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.27 -33.83 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.874 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -66.86 -59.63 3.36 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.079 1.752 . . . . 0.0 111.425 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.72 66.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.978 0.911 . . . . 0.0 111.767 175.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.61 -35.99 77.5 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.2 -50.93 71.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.274 1.03 . . . . 0.0 112.163 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -72.49 -28.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mttm . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.817 1.647 . . . . 0.0 113.368 176.55 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 120.799 0.333 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.38 0.74 21.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.752 1.621 . . . . 0.0 113.557 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.72 -35.81 56.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.425 1.466 . . . . 0.0 112.42 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.2 -37.47 87.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.96 0.904 . . . . 0.0 113.237 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -45.41 86.42 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.597 1.159 . . . . 0.0 110.046 174.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -73.1 -29.59 63.03 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.85 78.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.512 1.125 . . . . 0.0 111.452 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -74.44 -30.13 61.77 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.11 -56.22 18.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 111.781 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -68.54 -32.01 71.63 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.362 0.983 . . . . 0.0 111.632 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.14 -31.13 72.19 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.249 -0.907 . . . . 0.0 113.116 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.34 -36.65 66.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.211 0.914 . . . . 0.0 112.848 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -58.06 -22.15 48.89 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.364 0.983 . . . . 0.0 113.067 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.69 -51.27 11.81 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.124 0.97 . . . . 0.0 111.036 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.7 -23.67 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -55.66 -29.2 58.9 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.396 -1.44 . . . . 0.0 111.7 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.5 -39.0 88.46 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.925 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -61.88 -60.84 3.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.367 1.867 . . . . 0.0 112.06 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -49.91 68.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.201 1.0 . . . . 0.0 111.759 176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.35 -35.23 78.47 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 118.937 0.79 . . . . 0.0 112.827 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.92 -52.72 62.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.862 1.265 . . . . 0.0 111.645 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -70.2 -27.7 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.751 1.62 . . . . 0.0 113.08 175.597 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 mt . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.498 0.189 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -74.8 0.16 16.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.4 mt -51.75 -36.8 48.63 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.407 1.458 . . . . 0.0 113.075 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.9 -39.15 90.98 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.935 0.894 . . . . 0.0 113.103 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -43.52 91.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.455 1.502 . . . . 0.0 110.912 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -72.44 -28.84 63.2 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.92 86.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 111.254 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -31.97 71.69 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.97 -55.93 16.21 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.156 0.982 . . . . 0.0 111.684 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -67.68 -33.14 74.32 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.3 0.955 . . . . 0.0 111.587 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -63.56 -29.96 71.15 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.117 -0.989 . . . . 0.0 113.094 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.82 -37.38 68.6 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.689 1.131 . . . . 0.0 112.768 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -56.99 -22.98 42.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.42 1.009 . . . . 0.0 113.124 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -76.23 -50.82 13.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.089 0.955 . . . . 0.0 111.595 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.53 -23.29 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -28.61 58.77 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.465 -1.397 . . . . 0.0 111.754 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.9 -31.01 69.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.052 0.941 . . . . 0.0 112.773 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.74 -59.37 2.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.221 1.808 . . . . 0.0 111.664 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -50.7 66.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.837 0.855 . . . . 0.0 111.705 175.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -60.95 -35.45 76.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.102 0.865 . . . . 0.0 113.118 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.64 64.28 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.096 -1.003 . . . . 0.0 111.797 175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.6 pt -71.49 -27.52 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mttm . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.085 1.754 . . . . 0.0 112.597 -179.085 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 120.688 0.28 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.97 -1.36 19.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.248 1.419 . . . . 0.0 113.705 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -51.1 -36.37 40.03 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.256 1.389 . . . . 0.0 112.89 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.9 -41.0 97.39 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.334 1.054 . . . . 0.0 113.011 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -45.48 90.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.263 1.425 . . . . 0.0 110.43 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -71.25 -28.92 64.52 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.01 72.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.415 1.086 . . . . 0.0 110.929 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -67.79 -28.44 67.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.21 -55.25 22.97 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.644 1.111 . . . . 0.0 111.429 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -69.15 -32.9 72.57 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.292 0.951 . . . . 0.0 111.818 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.45 -30.86 71.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.307 -0.871 . . . . 0.0 113.284 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -55.48 -37.79 68.25 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.555 1.07 . . . . 0.0 112.811 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -56.96 -23.06 42.91 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.39 0.995 . . . . 0.0 113.041 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.45 -51.02 12.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.224 1.009 . . . . 0.0 111.424 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.19 -22.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -56.29 -29.04 60.65 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.384 -1.448 . . . . 0.0 111.865 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -68.7 -32.09 71.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.332 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.57 -59.69 3.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.61 1.564 . . . . 0.0 111.401 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -50.71 66.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.933 0.893 . . . . 0.0 111.698 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -59.71 -36.52 76.7 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.213 0.915 . . . . 0.0 113.396 174.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.51 -48.6 80.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.999 0.92 . . . . 0.0 112.494 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -75.46 -25.25 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.086 1.754 . . . . 0.0 113.762 173.327 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.8 mt . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.44 -0.9 21.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.956 1.302 . . . . 0.0 113.822 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.16 -35.42 35.83 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 112.474 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.13 -39.04 93.53 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.458 1.503 . . . . 0.0 112.821 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -44.88 85.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.575 1.55 . . . . 0.0 110.071 174.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.82 -29.44 66.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.46 81.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.074 0.949 . . . . 0.0 111.234 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -27.86 60.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.48 -55.54 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 111.543 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.93 -32.91 72.87 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.347 0.976 . . . . 0.0 111.405 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -30.56 71.65 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.224 -0.923 . . . . 0.0 112.609 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.48 -37.68 68.13 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.592 1.087 . . . . 0.0 112.601 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -56.71 -23.26 41.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.321 0.964 . . . . 0.0 112.959 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -76.38 -49.69 16.15 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.02 0.928 . . . . 0.0 112.166 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -22.7 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.39 -29.71 59.01 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.489 -1.382 . . . . 0.0 111.719 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.43 -33.25 73.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.74 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -66.89 -59.81 3.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.76 1.624 . . . . 0.0 111.646 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -49.72 69.24 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.739 0.816 . . . . 0.0 111.871 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.28 -35.85 78.43 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.6 -50.6 71.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.327 1.051 . . . . 0.0 112.199 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -73.09 -26.79 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mttm . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.416 1.887 . . . . 0.0 113.727 175.222 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 120.566 0.222 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -78.41 -1.39 33.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.816 1.646 . . . . 0.0 113.507 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -49.32 -36.63 21.73 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.364 -1.46 . . . . 0.0 113.193 175.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -65.19 -38.22 89.8 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.038 0.935 . . . . 0.0 112.633 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -64.57 -44.77 89.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.643 1.577 . . . . 0.0 110.159 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.22 -30.35 66.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.41 -44.52 80.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.184 0.994 . . . . 0.0 111.349 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -28.67 62.99 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.83 -55.43 23.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.323 0.965 . . . . 0.0 111.514 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -69.42 -32.09 70.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.248 0.931 . . . . 0.0 111.696 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.14 -30.84 71.91 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.232 -0.917 . . . . 0.0 113.065 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -55.2 -37.61 67.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.467 1.03 . . . . 0.0 112.703 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.41 -22.51 43.5 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.543 1.065 . . . . 0.0 113.094 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.48 -50.95 12.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.02 0.928 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -23.04 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -27.97 58.56 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.432 -1.417 . . . . 0.0 112.005 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -71.0 -32.76 69.66 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.039 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -65.61 -59.21 4.18 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.52 1.528 . . . . 0.0 111.23 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.61 68.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.427 0.691 . . . . 0.0 111.921 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -60.14 -37.11 79.1 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.0 -50.16 74.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.63 1.172 . . . . 0.0 112.45 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -73.49 -26.79 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mttp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.926 177.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 CA--C 1.539 0.557 0 CA-C-O 120.627 0.251 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -75.69 -0.1 19.61 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.551 1.54 . . . . 0.0 113.029 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.7 -36.9 48.49 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.277 -1.514 . . . . 0.0 112.825 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.4 -37.79 87.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.571 1.148 . . . . 0.0 113.131 175.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -46.67 78.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.365 1.466 . . . . 0.0 110.068 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -69.85 -29.56 66.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.01 82.95 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.229 1.012 . . . . 0.0 111.379 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -71.36 -31.36 67.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.26 -55.4 28.71 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.892 0.877 . . . . 0.0 111.831 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -70.01 -32.72 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.347 0.976 . . . . 0.0 111.79 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -63.03 -29.31 70.72 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.128 -0.983 . . . . 0.0 112.933 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -56.93 -37.13 71.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.641 1.109 . . . . 0.0 112.172 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -56.93 -22.86 40.96 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.16 0.891 . . . . 0.0 113.081 175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -76.53 -50.83 12.96 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.084 0.954 . . . . 0.0 111.391 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -23.13 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.5 -29.81 59.5 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.485 -1.385 . . . . 0.0 111.642 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -32.11 71.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.447 175.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -68.33 -59.14 3.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.517 1.527 . . . . 0.0 111.465 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.6 67.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.849 0.86 . . . . 0.0 111.685 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.65 -35.89 77.33 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.319 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.07 -51.76 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.056 0.943 . . . . 0.0 112.016 175.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.54 -28.66 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.427 1.491 . . . . 0.0 113.094 176.618 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.694 0.283 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.6 -2.57 20.46 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.54 1.936 . . . . 0.0 112.972 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.86 -35.6 33.44 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.348 -1.47 . . . . 0.0 113.214 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.89 -36.39 84.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.365 1.066 . . . . 0.0 112.74 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -44.89 81.21 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.626 1.57 . . . . 0.0 110.147 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -70.78 -29.56 65.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.02 78.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.973 0.909 . . . . 0.0 111.224 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -29.22 67.04 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.66 -55.07 22.43 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.978 0.911 . . . . 0.0 111.402 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -68.73 -32.63 72.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.252 0.933 . . . . 0.0 111.62 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.65 -31.12 71.93 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.245 -0.909 . . . . 0.0 113.012 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.5 -37.3 67.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.572 1.078 . . . . 0.0 113.066 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -57.38 -22.77 44.98 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.513 1.051 . . . . 0.0 113.092 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -50.78 13.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.346 1.058 . . . . 0.0 111.195 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.12 -22.36 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.64 -30.06 60.33 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.381 -1.449 . . . . 0.0 111.714 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -64.78 -38.51 91.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 111.565 174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.29 -59.98 3.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.858 1.663 . . . . 0.0 111.682 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -50.65 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.81 0.844 . . . . 0.0 111.859 176.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -59.39 -37.16 77.25 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.383 0.992 . . . . 0.0 113.214 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.75 -48.99 79.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.418 1.087 . . . . 0.0 112.42 175.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.4 pt -75.04 -25.22 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mttm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.311 1.844 . . . . 0.0 114.056 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 CA--C 1.541 0.627 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.6 1.52 14.18 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.58 1.152 . . . . 0.0 113.685 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.96 -35.04 44.87 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.007 1.73 . . . . 0.0 112.647 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.33 -36.17 83.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.237 1.015 . . . . 0.0 112.802 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -48.7 69.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.441 1.496 . . . . 0.0 109.341 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.33 -29.64 67.51 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.56 78.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.353 1.061 . . . . 0.0 111.369 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -28.86 65.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.14 -55.33 22.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.374 0.988 . . . . 0.0 111.43 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.11 -32.33 71.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.237 0.926 . . . . 0.0 111.632 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.84 -31.26 72.24 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.17 -37.6 67.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.437 1.017 . . . . 0.0 112.806 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.51 -22.27 43.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.44 1.018 . . . . 0.0 113.196 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -76.47 -50.88 12.93 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.98 0.912 . . . . 0.0 111.247 175.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.79 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -27.18 57.0 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.519 -1.363 . . . . 0.0 111.927 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -68.83 -34.28 75.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.893 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.43 -59.82 3.32 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.966 1.706 . . . . 0.0 111.299 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -50.73 65.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.258 1.023 . . . . 0.0 111.943 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.2 t90 -60.87 -34.99 75.47 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.49 -50.73 70.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.337 1.055 . . . . 0.0 111.917 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -72.89 -26.39 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.611 1.565 . . . . 0.0 113.033 174.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 CA--C 1.54 0.558 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.94 -0.68 22.32 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.288 1.435 . . . . 0.0 113.745 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -52.77 -35.16 56.05 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.226 -1.546 . . . . 0.0 113.276 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.44 -35.88 80.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.351 1.061 . . . . 0.0 113.054 175.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.7 65.76 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 110.021 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -67.8 -29.04 68.12 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.63 79.45 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 111.496 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.8 -55.53 22.32 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.312 0.96 . . . . 0.0 111.643 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.77 -32.96 71.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.376 0.989 . . . . 0.0 111.735 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.55 -29.08 70.39 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.204 -0.935 . . . . 0.0 113.126 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -56.08 -37.91 69.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.673 1.124 . . . . 0.0 112.533 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -56.75 -23.29 41.81 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.41 1.005 . . . . 0.0 113.017 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.46 -50.92 12.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.954 0.901 . . . . 0.0 111.713 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -22.69 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.15 -27.96 62.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.426 -1.421 . . . . 0.0 112.04 176.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.93 -31.15 68.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.017 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.44 -60.0 2.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 111.451 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -50.68 65.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 175.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -60.53 -35.73 76.7 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.72 -51.06 69.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.01 0.924 . . . . 0.0 112.031 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 pt -72.32 -27.39 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mttm . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.161 1.784 . . . . 0.0 113.304 175.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 111.425 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.86 -1.96 21.72 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.919 1.688 . . . . 0.0 114.403 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mp -50.23 -35.49 26.97 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.284 -1.51 . . . . 0.0 113.521 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.058 0.845 . . . . 0.0 113.127 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -70.77 -45.91 63.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.716 1.607 . . . . 0.0 109.741 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -68.67 -29.55 68.04 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.27 75.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.341 1.056 . . . . 0.0 111.311 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -29.2 67.87 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 174.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.54 -55.65 19.13 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.429 1.013 . . . . 0.0 111.636 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -69.22 -33.14 72.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.331 0.968 . . . . 0.0 111.778 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -63.51 -28.75 70.17 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.232 -0.917 . . . . 0.0 113.114 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -56.33 -37.35 69.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.884 1.22 . . . . 0.0 112.791 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -57.57 -22.33 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.39 0.996 . . . . 0.0 113.078 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.49 -50.7 13.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.202 1.001 . . . . 0.0 111.205 174.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.22 -22.58 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -28.14 60.05 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.404 -1.435 . . . . 0.0 112.108 175.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -69.37 -32.36 71.35 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 112.04 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -67.23 -59.45 3.42 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.662 1.585 . . . . 0.0 111.471 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -49.3 70.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 111.885 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.49 -36.61 80.94 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.073 0.851 . . . . 0.0 113.076 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.19 -50.57 72.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 175.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -72.1 -22.16 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.449 1.9 . . . . 0.0 114.153 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 mt . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.23 -0.77 17.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.213 1.805 . . . . 0.0 113.261 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.47 -35.24 28.09 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.537 -1.352 . . . . 0.0 113.227 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.53 -35.28 80.4 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.356 0.98 . . . . 0.0 112.766 175.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -45.1 77.42 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.25 1.42 . . . . 0.0 109.83 174.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -69.28 -30.52 68.64 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.94 76.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.165 0.986 . . . . 0.0 112.26 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.32 -29.36 47.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 174.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.01 -53.69 49.91 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.185 0.994 . . . . 0.0 111.816 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -69.0 -33.17 73.24 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.25 0.932 . . . . 0.0 111.848 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.03 -29.27 70.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.131 -0.981 . . . . 0.0 112.894 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.03 -37.64 69.47 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.69 1.132 . . . . 0.0 112.67 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.19 -22.68 42.44 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.408 1.004 . . . . 0.0 113.208 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -76.39 -51.77 11.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 111.08 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -22.82 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -56.07 -29.21 60.2 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.576 -1.328 . . . . 0.0 111.852 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -70.05 -30.61 67.92 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.501 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -67.66 -59.54 3.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.338 1.455 . . . . 0.0 111.339 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -51.29 64.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.051 0.94 . . . . 0.0 111.457 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -59.89 -35.59 75.17 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.52 -50.84 69.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.735 0.814 . . . . 0.0 111.666 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -72.64 -26.9 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mttm . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.906 1.683 . . . . 0.0 112.771 175.764 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -67.99 0.75 3.22 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.089 1.355 . . . . 0.0 113.494 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -48.99 -39.03 25.07 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.494 -1.379 . . . . 0.0 112.713 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.12 93.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.085 1.354 . . . . 0.0 113.107 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -46.96 79.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.774 1.629 . . . . 0.0 110.279 175.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -68.29 -28.9 67.58 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.8 81.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.955 0.902 . . . . 0.0 111.17 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 t -69.14 -31.98 71.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.571 0.748 . . . . 0.0 112.908 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.9 -54.57 40.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.267 0.94 . . . . 0.0 111.858 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.89 -32.23 70.46 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.259 0.936 . . . . 0.0 111.713 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.85 -30.89 71.85 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.282 -0.886 . . . . 0.0 112.98 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -55.63 -36.2 66.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.406 1.003 . . . . 0.0 113.067 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -58.61 -22.14 55.51 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.312 0.96 . . . . 0.0 112.907 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -76.45 -50.96 12.76 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.063 0.945 . . . . 0.0 110.902 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.85 -22.78 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.12 -29.62 60.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.425 -1.422 . . . . 0.0 111.84 175.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.32 -31.48 70.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.269 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -67.82 -59.7 3.09 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.528 1.531 . . . . 0.0 111.345 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.13 68.79 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.953 0.901 . . . . 0.0 111.87 175.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -60.68 -35.62 76.7 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.72 -51.32 68.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.044 0.937 . . . . 0.0 112.003 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -72.66 -26.79 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.775 1.63 . . . . 0.0 112.776 175.38 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 120.537 0.208 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -74.54 1.36 12.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.918 1.687 . . . . 0.0 114.049 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.3 -34.73 34.49 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.62 1.555 . . . . 0.0 112.431 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.27 -41.09 97.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.809 1.244 . . . . 0.0 112.965 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.3 -47.02 84.02 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.51 1.524 . . . . 0.0 110.206 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.82 -29.7 67.04 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.76 79.54 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.206 1.002 . . . . 0.0 111.957 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -76.45 -29.63 57.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.79 -54.06 41.11 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.217 1.007 . . . . 0.0 111.738 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -68.31 -33.16 73.82 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.268 0.94 . . . . 0.0 111.862 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -62.93 -28.86 70.36 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.249 -0.907 . . . . 0.0 112.964 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.46 -37.34 70.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.762 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.6 -22.85 47.65 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.474 1.034 . . . . 0.0 113.019 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.36 -50.53 13.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.145 0.978 . . . . 0.0 111.346 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.78 -22.58 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -29.78 60.11 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.355 -1.466 . . . . 0.0 111.761 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -65.41 -38.32 89.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.066 0.946 . . . . 0.0 111.473 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.06 -60.36 3.33 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.835 1.654 . . . . 0.0 111.626 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.29 72.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.024 . . . . 0.0 112.408 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -62.56 -37.11 84.88 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.07 0.85 . . . . 0.0 113.012 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.29 -50.41 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.681 1.193 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -73.87 -25.47 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.875 1.67 . . . . 0.0 113.166 176.76 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.9 t30 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.78 -35.79 71.28 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 120.376 1.444 . . . . 0.0 114.122 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -63.51 -55.93 20.13 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.064 0.946 . . . . 0.0 111.549 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -61.26 -28.52 69.23 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -31.85 66.26 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.31 1.044 . . . . 0.0 113.314 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.12 -36.79 16.69 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.023 1.329 . . . . 0.0 112.055 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -75.2 -0.96 21.13 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.841 1.256 . . . . 0.0 113.65 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -52.63 -33.49 46.9 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.448 -1.407 . . . . 0.0 113.077 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -65.8 -34.78 78.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.582 1.153 . . . . 0.0 112.709 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -69.58 -40.16 76.89 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.371 1.469 . . . . 0.0 110.482 175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -74.2 -28.73 61.41 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.56 84.57 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.087 0.955 . . . . 0.0 111.848 176.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.7 p -71.64 -27.91 63.4 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -66.48 -56.2 12.06 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.191 0.996 . . . . 0.0 111.528 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -67.2 -33.3 75.1 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.408 1.004 . . . . 0.0 111.642 177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -63.77 -29.37 70.59 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.267 -0.896 . . . . 0.0 113.122 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.37 -37.49 70.13 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.803 1.183 . . . . 0.0 112.675 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -56.96 -22.89 41.66 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.42 1.009 . . . . 0.0 113.161 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.32 -51.09 12.65 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.19 0.996 . . . . 0.0 111.54 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.69 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -27.65 59.53 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.507 -1.37 . . . . 0.0 111.748 175.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -68.53 -33.57 74.35 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.24 -0.886 . . . . 0.0 112.042 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -67.26 -59.61 3.28 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.919 1.688 . . . . 0.0 111.553 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.87 -48.21 73.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.243 1.017 . . . . 0.0 111.969 175.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 31.2 t90 -62.51 -37.38 85.84 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 118.949 0.795 . . . . 0.0 112.783 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.55 -49.73 76.38 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.53 1.132 . . . . 0.0 112.499 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.0 pt -72.5 -27.69 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.687 1.595 . . . . 0.0 114.398 174.342 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.39 -26.74 60.29 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 119.881 -1.762 . . . . 0.0 113.558 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -19.33 65.71 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.131 0.972 . . . . 0.0 113.002 -178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.24 -34.68 78.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.313 1.045 . . . . 0.0 111.582 174.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HA ' HD13 ' A' ' 8' ' ' LEU . 11.0 mp -60.91 -22.95 64.84 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.444 1.097 . . . . 0.0 112.939 175.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.31 -33.61 20.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.935 1.294 . . . . 0.0 111.489 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -76.23 -3.1 34.61 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.855 1.662 . . . . 0.0 113.046 175.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mp -49.1 -38.05 23.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.271 -1.518 . . . . 0.0 113.207 176.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -65.07 -35.83 82.4 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.961 0.904 . . . . 0.0 112.657 176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -66.09 -46.54 77.32 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.444 1.498 . . . . 0.0 109.826 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -69.67 -30.28 67.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 176.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.12 -42.68 81.32 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.269 1.028 . . . . 0.0 111.542 176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -29.89 63.1 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 175.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.33 -55.72 22.28 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.037 0.935 . . . . 0.0 111.698 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.5 p-90 -69.34 -32.75 72.04 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.402 1.001 . . . . 0.0 111.674 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -63.73 -29.1 70.36 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.224 -0.923 . . . . 0.0 113.054 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -56.38 -37.61 70.33 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.747 1.158 . . . . 0.0 112.4 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -56.95 -22.71 39.97 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.347 0.976 . . . . 0.0 113.043 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -76.37 -50.97 12.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.283 1.033 . . . . 0.0 111.586 175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.84 -22.88 14.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.62 -27.85 59.19 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 120.393 -1.442 . . . . 0.0 111.859 175.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -69.2 -33.42 73.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 118.145 -0.931 . . . . 0.0 111.814 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -66.54 -60.02 3.11 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.952 1.701 . . . . 0.0 111.535 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.08 -49.79 68.27 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.097 0.959 . . . . 0.0 111.945 175.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.7 t90 -61.59 -36.6 81.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.24 65.96 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.419 1.088 . . . . 0.0 112.046 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.5 pt -70.68 -24.52 25.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.231 0 C-N-CA 126.027 1.731 . . . . 0.0 113.526 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 119.468 -0.301 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.01 -26.17 43.26 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.69 -1.256 . . . . 0.0 114.008 176.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.8 -57.4 12.93 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.764 1.225 . . . . 0.0 111.442 177.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.77 -34.08 69.19 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.1 -23.37 67.13 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.31 1.444 . . . . 0.0 113.269 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -94.66 -35.38 12.21 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.386 1.474 . . . . 0.0 110.912 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -74.72 0.14 16.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.705 1.602 . . . . 0.0 114.285 175.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.6 mt -52.61 -34.14 49.59 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.437 1.471 . . . . 0.0 112.8 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.29 -38.82 92.39 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.565 1.146 . . . . 0.0 113.103 175.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -65.38 -47.96 74.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.205 1.402 . . . . 0.0 110.369 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -68.67 -30.39 69.06 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.75 87.21 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.113 0.965 . . . . 0.0 111.884 175.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.54 -29.06 63.25 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 175.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -66.89 -54.95 17.15 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 124.389 1.076 . . . . 0.0 111.527 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 16.1 p-90 -65.35 -34.28 77.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 119.255 0.934 . . . . 0.0 111.662 176.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -62.85 -28.52 70.08 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.236 -0.915 . . . . 0.0 113.073 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -57.28 -37.87 73.07 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.969 1.258 . . . . 0.0 112.77 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -57.12 -23.71 49.02 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.582 1.083 . . . . 0.0 113.129 175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -76.41 -50.99 12.74 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.977 0.911 . . . . 0.0 111.571 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.2 tt -77.48 -22.13 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.25 -27.89 62.46 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.229 -1.544 . . . . 0.0 112.149 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -68.42 -32.15 71.99 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 118.183 -0.913 . . . . 0.0 112.024 175.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -67.6 -59.37 3.4 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.742 1.617 . . . . 0.0 111.528 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.23 -48.17 74.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.203 1.001 . . . . 0.0 112.049 175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.5 t90 -62.21 -36.85 83.22 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.053 0.842 . . . . 0.0 112.75 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -60.53 -49.98 75.38 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.525 1.13 . . . . 0.0 112.57 175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -73.31 -23.14 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 113.949 1.092 . . . . 0.0 113.949 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 C-N-CA 125.816 1.646 . . . . 0.0 113.792 177.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.26 -49.98 56.89 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 119.958 -1.714 . . . . 0.0 111.436 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -56.23 -32.32 64.35 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.21 1.404 . . . . 0.0 113.589 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.26 -54.34 48.12 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.631 1.572 . . . . 0.0 112.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.65 -31.26 71.36 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.718 -0.614 . . . . 0.0 111.546 176.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.3 mt -86.23 2.63 46.34 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.21 1.804 . . . . 0.0 113.9 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.15 0.68 1.85 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.802 -1.186 . . . . 0.0 113.545 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 mt -49.73 -37.44 29.36 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.547 -1.346 . . . . 0.0 112.75 176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -65.69 -36.69 84.35 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.419 1.088 . . . . 0.0 112.862 175.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -67.03 -47.06 72.54 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.712 1.605 . . . . 0.0 110.051 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.42 -29.3 67.0 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 176.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.88 77.53 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.051 0.941 . . . . 0.0 111.435 175.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -71.42 -27.34 63.23 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -64.23 -55.53 20.95 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.556 1.071 . . . . 0.0 111.59 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -69.53 -32.9 72.0 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.297 0.953 . . . . 0.0 111.797 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -63.55 -29.12 70.43 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.206 -0.934 . . . . 0.0 113.199 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -56.03 -37.53 69.33 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.703 1.138 . . . . 0.0 112.682 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.13 -23.07 44.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.454 1.025 . . . . 0.0 113.041 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -50.89 13.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.142 0.977 . . . . 0.0 111.216 175.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.38 -23.33 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.3 -27.59 56.02 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.401 -1.437 . . . . 0.0 112.049 175.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -67.93 -37.16 81.3 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.608 0.763 . . . . 0.0 111.312 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -63.91 -60.0 3.82 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.26 1.824 . . . . 0.0 111.957 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.6 -50.24 68.52 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.775 0.83 . . . . 0.0 111.826 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -61.12 -35.67 77.67 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 119.072 0.851 . . . . 0.0 113.007 175.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.62 -50.64 71.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.662 1.185 . . . . 0.0 112.303 175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.7 pt -72.6 -28.38 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 mttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 126.255 1.822 . . . . 0.0 114.025 179.47 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 119.975 -0.06 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.66 -37.02 18.41 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.259 1.023 . . . . 0.0 112.56 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -59.26 -51.46 69.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.312 1.045 . . . . 0.0 112.107 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.16 -32.08 67.86 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.691 -0.631 . . . . 0.0 112.554 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -61.62 -26.19 67.83 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.27 1.428 . . . . 0.0 112.889 177.347 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.5 mt -84.81 -32.62 23.24 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.145 1.378 . . . . 0.0 111.117 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -79.01 -0.76 32.49 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.973 1.309 . . . . 0.0 113.328 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.2 mp -49.37 -37.71 25.87 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.577 -1.327 . . . . 0.0 112.997 176.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -63.44 -37.21 86.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.073 0.851 . . . . 0.0 112.96 175.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -45.27 88.53 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.543 1.137 . . . . 0.0 109.567 174.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -71.9 -29.44 64.33 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.02 -42.86 81.15 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.334 1.054 . . . . 0.0 111.276 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.57 -28.8 61.09 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.67 -56.29 16.88 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.113 0.965 . . . . 0.0 111.56 176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.1 p-90 -67.87 -32.67 73.34 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.263 0.938 . . . . 0.0 111.575 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -63.52 -30.69 71.77 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.219 -0.926 . . . . 0.0 112.923 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.06 -36.5 68.12 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.493 1.042 . . . . 0.0 112.687 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -57.75 -22.7 48.24 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.119 0.872 . . . . 0.0 112.954 175.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -76.41 -50.9 12.95 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.213 -0.929 . . . . 0.0 111.581 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -22.74 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 178.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.17 -29.65 61.13 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.31 -1.494 . . . . 0.0 111.775 175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -67.96 -31.39 71.09 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 117.947 -1.025 . . . . 0.0 112.211 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -67.96 -60.04 2.81 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.614 1.566 . . . . 0.0 111.439 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.53 -49.46 70.21 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.019 0.928 . . . . 0.0 112.041 175.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -62.92 -32.58 73.9 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -63.85 -51.91 62.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.23 1.012 . . . . 0.0 111.9 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.5 pt -71.29 -30.38 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mttm . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.254 1.422 . . . . 0.0 114.432 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.4 p30 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.356 -0.831 . . . . 0.0 112.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.77 -38.82 57.09 Favored 'General case' 0 N--CA 1.482 1.169 0 CA-C-N 120.61 1.55 . . . . 0.0 114.612 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -57.89 -45.91 85.71 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.832 1.253 . . . . 0.0 111.714 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -69.53 -37.5 77.12 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 121.677 -0.639 . . . . 0.0 112.369 175.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -22.81 53.66 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.588 1.155 . . . . 0.0 113.914 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 20.6 mt -95.66 -36.26 11.28 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.341 1.856 . . . . 0.0 111.104 177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -76.02 -0.44 21.71 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.125 1.77 . . . . 0.0 113.371 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.3 mt -53.08 -33.26 51.32 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 120.649 1.568 . . . . 0.0 112.889 179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -65.6 -36.45 83.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.088 0.955 . . . . 0.0 112.937 175.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.89 -47.9 70.39 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.707 1.603 . . . . 0.0 109.629 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -69.04 -29.98 68.24 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 176.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.22 78.98 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.306 1.042 . . . . 0.0 111.739 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.9 t -72.42 -31.54 65.59 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -62.78 -56.1 20.57 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.039 0.936 . . . . 0.0 111.909 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.27 -32.73 73.1 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.339 0.972 . . . . 0.0 111.784 177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -63.61 -29.93 71.11 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.222 -0.924 . . . . 0.0 113.062 175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.76 -37.03 67.98 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.602 1.092 . . . . 0.0 112.69 175.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -57.41 -22.52 43.59 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.41 1.004 . . . . 0.0 112.982 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -76.46 -50.88 12.93 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.059 0.944 . . . . 0.0 111.059 174.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.26 -22.87 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.55 -29.81 59.64 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.36 -1.463 . . . . 0.0 111.719 175.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -66.3 -38.25 87.31 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.819 0.848 . . . . 0.0 111.424 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.3 m95 -63.34 -60.08 3.86 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.794 1.638 . . . . 0.0 111.794 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.99 -50.71 68.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.717 0.807 . . . . 0.0 112.055 175.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -59.43 -36.82 76.63 Favored 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.432 1.015 . . . . 0.0 113.526 175.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.27 -49.96 74.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.797 1.239 . . . . 0.0 112.367 176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.7 pt -74.09 -25.49 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.411 1.884 . . . . 0.0 114.087 173.068 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 25.9 t30 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -77.61 -27.66 51.3 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 120.214 -1.554 . . . . 0.0 113.61 175.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -67.52 -47.79 68.9 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.326 1.05 . . . . 0.0 111.536 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.17 -33.22 65.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.338 1.055 . . . . 0.0 113.178 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -61.43 -29.15 69.77 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.277 1.431 . . . . 0.0 113.623 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.9 mt -88.16 -35.26 17.51 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.664 1.186 . . . . 0.0 111.099 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.52 -1.81 22.99 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.935 1.294 . . . . 0.0 113.424 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.16 -36.16 29.06 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 120.581 -1.324 . . . . 0.0 113.06 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.89 -37.04 86.3 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.643 1.177 . . . . 0.0 112.801 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.22 -43.67 85.98 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.342 1.457 . . . . 0.0 109.93 174.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -71.22 -29.77 65.53 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 175.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.66 -45.32 81.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.248 1.019 . . . . 0.0 111.384 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -28.29 63.15 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.94 -55.54 21.82 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.512 1.051 . . . . 0.0 111.64 176.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.62 -32.84 71.78 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.344 0.975 . . . . 0.0 111.862 177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -63.76 -29.02 70.28 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.186 -0.946 . . . . 0.0 113.115 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -56.06 -37.25 69.04 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.766 1.166 . . . . 0.0 112.536 174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -57.41 -22.62 44.27 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.426 1.012 . . . . 0.0 113.099 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -76.5 -50.81 13.05 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.902 0.881 . . . . 0.0 111.25 175.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.17 -23.12 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.72 -26.99 58.34 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.457 -1.402 . . . . 0.0 111.986 175.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -69.27 -33.83 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 118.416 -0.802 . . . . 0.0 111.874 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -66.86 -59.63 3.36 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.079 1.752 . . . . 0.0 111.425 -178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.37 -50.72 66.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.978 0.911 . . . . 0.0 111.767 175.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.61 -35.99 77.5 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.2 -50.93 71.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.274 1.03 . . . . 0.0 112.163 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.0 pt -72.49 -28.62 28.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mttm . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.817 1.647 . . . . 0.0 113.368 176.55 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.7 m120 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 112.493 0.553 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.08 -34.55 75.1 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 119.998 -1.689 . . . . 0.0 113.371 -178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -66.38 -42.98 87.16 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.988 0.915 . . . . 0.0 112.51 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -57.58 -36.15 71.33 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.592 -0.692 . . . . 0.0 112.055 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -20.08 28.55 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.486 1.514 . . . . 0.0 114.657 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -100.79 -34.69 9.73 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.898 1.679 . . . . 0.0 111.046 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -77.38 0.74 21.3 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.752 1.621 . . . . 0.0 113.557 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.8 mt -52.72 -35.81 56.49 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 120.425 1.466 . . . . 0.0 112.42 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.2 -37.47 87.37 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.96 0.904 . . . . 0.0 113.237 174.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.78 -45.41 86.42 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.597 1.159 . . . . 0.0 110.046 174.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -73.1 -29.59 63.03 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.86 -41.85 78.69 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.512 1.125 . . . . 0.0 111.452 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -74.44 -30.13 61.77 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.11 -56.22 18.65 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.28 1.032 . . . . 0.0 111.781 177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -68.54 -32.01 71.63 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 119.362 0.983 . . . . 0.0 111.632 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -63.14 -31.13 72.19 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.249 -0.907 . . . . 0.0 113.116 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.34 -36.65 66.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.211 0.914 . . . . 0.0 112.848 174.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -58.06 -22.15 48.89 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.364 0.983 . . . . 0.0 113.067 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.69 -51.27 11.81 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 124.124 0.97 . . . . 0.0 111.036 175.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.7 -23.67 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -55.66 -29.2 58.9 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.396 -1.44 . . . . 0.0 111.7 175.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -66.5 -39.0 88.46 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 118.618 -0.706 . . . . 0.0 110.925 175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -61.88 -60.84 3.04 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.367 1.867 . . . . 0.0 112.06 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -49.91 68.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.201 1.0 . . . . 0.0 111.759 176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -62.35 -35.23 78.47 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 118.937 0.79 . . . . 0.0 112.827 176.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.92 -52.72 62.94 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.862 1.265 . . . . 0.0 111.645 175.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.5 pt -70.2 -27.7 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.751 1.62 . . . . 0.0 113.08 175.597 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -65.34 -32.11 73.59 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 120.34 1.427 . . . . 0.0 113.868 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -57.89 -58.85 6.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.009 1.323 . . . . 0.0 112.52 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -61.47 -32.59 72.59 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.658 -0.651 . . . . 0.0 112.438 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.12 -31.76 72.98 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.414 1.485 . . . . 0.0 112.433 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.8 -40.01 23.19 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.748 1.219 . . . . 0.0 111.08 175.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -74.8 0.16 16.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.4 mt -51.75 -36.8 48.63 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.407 1.458 . . . . 0.0 113.075 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -61.9 -39.15 90.98 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.935 0.894 . . . . 0.0 113.103 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.16 -43.52 91.51 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.455 1.502 . . . . 0.0 110.912 175.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -72.44 -28.84 63.2 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 176.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.82 -44.92 86.73 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.168 0.987 . . . . 0.0 111.254 176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -31.97 71.69 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.97 -55.93 16.21 Favored 'General case' 0 C--N 1.342 0.277 0 C-N-CA 124.156 0.982 . . . . 0.0 111.684 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -67.68 -33.14 74.32 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.3 0.955 . . . . 0.0 111.587 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -63.56 -29.96 71.15 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.117 -0.989 . . . . 0.0 113.094 175.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -55.82 -37.38 68.6 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.689 1.131 . . . . 0.0 112.768 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -56.99 -22.98 42.7 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.42 1.009 . . . . 0.0 113.124 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -76.23 -50.82 13.43 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.089 0.955 . . . . 0.0 111.595 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.53 -23.29 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.17 -28.61 58.77 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.465 -1.397 . . . . 0.0 111.754 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -68.9 -31.01 69.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.052 0.941 . . . . 0.0 112.773 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -69.74 -59.37 2.99 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.221 1.808 . . . . 0.0 111.664 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.26 -50.7 66.62 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.837 0.855 . . . . 0.0 111.705 175.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.7 t90 -60.95 -35.45 76.78 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.102 0.865 . . . . 0.0 113.118 174.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -60.65 -52.64 64.28 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.096 -1.003 . . . . 0.0 111.797 175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.6 pt -71.49 -27.52 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.3 mttm . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.085 1.754 . . . . 0.0 112.597 -179.085 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 34.2 m120 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -65.33 -36.59 84.49 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.348 -0.845 . . . . 0.0 112.67 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.6 -30.9 71.69 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 175.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.2 -31.94 72.53 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.375 -0.828 . . . . 0.0 111.715 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -21.34 62.52 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.667 1.187 . . . . 0.0 113.74 176.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.09 -36.82 10.37 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.779 1.631 . . . . 0.0 111.072 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -73.97 -1.36 19.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.248 1.419 . . . . 0.0 113.705 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.2 mt -51.1 -36.37 40.03 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.256 1.389 . . . . 0.0 112.89 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -61.9 -41.0 97.39 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.334 1.054 . . . . 0.0 113.011 175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -45.48 90.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.263 1.425 . . . . 0.0 110.43 174.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -71.25 -28.92 64.52 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.0 -50.01 72.06 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.415 1.086 . . . . 0.0 110.929 176.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 m -67.79 -28.44 67.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.21 -55.25 22.97 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.644 1.111 . . . . 0.0 111.429 177.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.5 p-90 -69.15 -32.9 72.57 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.292 0.951 . . . . 0.0 111.818 177.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.45 -30.86 71.55 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.307 -0.871 . . . . 0.0 113.284 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -55.48 -37.79 68.25 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.555 1.07 . . . . 0.0 112.811 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -56.96 -23.06 42.91 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.39 0.995 . . . . 0.0 113.041 176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -76.45 -51.02 12.62 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.224 1.009 . . . . 0.0 111.424 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.19 -22.59 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -56.29 -29.04 60.65 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.384 -1.448 . . . . 0.0 111.865 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -68.7 -32.09 71.64 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.143 -0.932 . . . . 0.0 112.332 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.57 -59.69 3.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 125.61 1.564 . . . . 0.0 111.401 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.24 -50.71 66.54 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.933 0.893 . . . . 0.0 111.698 175.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -59.71 -36.52 76.7 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.213 0.915 . . . . 0.0 113.396 174.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -61.51 -48.6 80.32 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.999 0.92 . . . . 0.0 112.494 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.5 pt -75.46 -25.25 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 mttm . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.086 1.754 . . . . 0.0 113.762 173.327 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 119.983 -0.055 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -77.93 -31.76 51.21 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.889 -1.132 . . . . 0.0 112.982 178.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -59.57 -50.87 72.21 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.416 1.086 . . . . 0.0 112.371 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -59.74 -30.33 68.76 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 176.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.06 -31.02 68.49 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.656 1.583 . . . . 0.0 112.189 177.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.8 mt -89.59 -38.36 14.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.824 1.649 . . . . 0.0 112.112 174.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.44 -0.9 21.66 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.956 1.302 . . . . 0.0 113.822 175.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -51.16 -35.42 35.83 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 112.474 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.13 -39.04 93.53 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.458 1.503 . . . . 0.0 112.821 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.42 -44.88 85.98 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.575 1.55 . . . . 0.0 110.071 174.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.82 -29.44 66.72 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 175.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.46 81.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.074 0.949 . . . . 0.0 111.234 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -27.86 60.33 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 176.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.48 -55.54 23.26 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.988 0.915 . . . . 0.0 111.543 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.5 p-90 -68.93 -32.91 72.87 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.347 0.976 . . . . 0.0 111.405 177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -30.56 71.65 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.224 -0.923 . . . . 0.0 112.609 175.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -55.48 -37.68 68.13 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.592 1.087 . . . . 0.0 112.601 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -56.71 -23.26 41.04 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.321 0.964 . . . . 0.0 112.959 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -76.38 -49.69 16.15 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.02 0.928 . . . . 0.0 112.166 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.68 -22.7 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.39 -29.71 59.01 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 120.489 -1.382 . . . . 0.0 111.719 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.43 -33.25 73.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.74 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -66.89 -59.81 3.2 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.76 1.624 . . . . 0.0 111.646 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -49.72 69.24 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.739 0.816 . . . . 0.0 111.871 175.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.28 -35.85 78.43 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -61.6 -50.6 71.93 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.327 1.051 . . . . 0.0 112.199 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.9 pt -73.09 -26.79 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mttm . . . . . 0 C--O 1.252 1.211 0 C-N-CA 126.416 1.887 . . . . 0.0 113.727 175.222 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -72.13 -39.02 69.11 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 121.027 -1.046 . . . . 0.0 112.593 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -63.43 -26.06 68.56 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.506 1.122 . . . . 0.0 113.068 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.62 -42.31 92.36 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.199 -0.938 . . . . 0.0 111.208 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.53 ' HA ' HD13 ' A' ' 8' ' ' LEU . 2.8 tt -59.69 -25.26 64.62 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.601 1.16 . . . . 0.0 112.91 178.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -83.39 -33.39 25.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.776 1.23 . . . . 0.0 111.478 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -78.41 -1.39 33.31 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.816 1.646 . . . . 0.0 113.507 175.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.53 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.7 mp -49.32 -36.63 21.73 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.364 -1.46 . . . . 0.0 113.193 175.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -65.19 -38.22 89.8 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.038 0.935 . . . . 0.0 112.633 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -64.57 -44.77 89.64 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.643 1.577 . . . . 0.0 110.159 174.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -71.22 -30.35 66.25 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 175.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.41 -44.52 80.41 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.184 0.994 . . . . 0.0 111.349 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 -28.67 62.99 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -63.83 -55.43 23.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 119.323 0.965 . . . . 0.0 111.514 177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -69.42 -32.09 70.86 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.248 0.931 . . . . 0.0 111.696 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -63.14 -30.84 71.91 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.232 -0.917 . . . . 0.0 113.065 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -55.2 -37.61 67.32 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.467 1.03 . . . . 0.0 112.703 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.41 -22.51 43.5 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.543 1.065 . . . . 0.0 113.094 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.48 -50.95 12.71 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.02 0.928 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -76.8 -23.04 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 178.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.49 -27.97 58.56 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 120.432 -1.417 . . . . 0.0 112.005 175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-20 -71.0 -32.76 69.66 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.039 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -65.61 -59.21 4.18 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.52 1.528 . . . . 0.0 111.23 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -50.61 68.71 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.427 0.691 . . . . 0.0 111.921 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -60.14 -37.11 79.1 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.0 -50.16 74.85 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.63 1.172 . . . . 0.0 112.45 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.1 pt -73.49 -26.79 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mttp . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.926 177.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 14.3 p30 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.89 -28.54 66.26 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.789 1.631 . . . . 0.0 114.381 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.05 -39.58 95.15 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.329 0.651 . . . . 0.0 111.829 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -56.58 -38.05 71.45 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.412 -0.805 . . . . 0.0 111.735 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.92 -19.8 53.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.07 1.348 . . . . 0.0 114.437 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.7 mt -100.79 -34.91 9.63 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.994 1.718 . . . . 0.0 111.372 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -75.69 -0.1 19.61 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.551 1.54 . . . . 0.0 113.029 174.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -51.7 -36.9 48.49 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.277 -1.514 . . . . 0.0 112.825 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.4 -37.79 87.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.571 1.148 . . . . 0.0 113.131 175.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -46.67 78.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.365 1.466 . . . . 0.0 110.068 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -69.85 -29.56 66.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 176.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.13 -44.01 82.95 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.229 1.012 . . . . 0.0 111.379 177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 t -71.36 -31.36 67.24 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -62.26 -55.4 28.71 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.892 0.877 . . . . 0.0 111.831 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.2 p-90 -70.01 -32.72 71.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.347 0.976 . . . . 0.0 111.79 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 t30 -63.03 -29.31 70.72 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.128 -0.983 . . . . 0.0 112.933 174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -56.93 -37.13 71.07 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.641 1.109 . . . . 0.0 112.172 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -56.93 -22.86 40.96 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.16 0.891 . . . . 0.0 113.081 175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -76.53 -50.83 12.96 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.084 0.954 . . . . 0.0 111.391 175.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.94 -23.13 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -55.5 -29.81 59.5 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.485 -1.385 . . . . 0.0 111.642 175.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.58 -32.11 71.78 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 117.976 -1.011 . . . . 0.0 112.447 175.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -68.33 -59.14 3.41 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.517 1.527 . . . . 0.0 111.465 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.6 67.68 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.849 0.86 . . . . 0.0 111.685 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.2 t90 -60.65 -35.89 77.33 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.319 175.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.07 -51.76 67.82 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.056 0.943 . . . . 0.0 112.016 175.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 41.3 pt -71.54 -28.66 32.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 mttt . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.427 1.491 . . . . 0.0 113.094 176.618 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 119.342 -0.361 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.97 -40.46 60.92 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.717 1.144 . . . . 0.0 113.404 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -56.96 -36.78 70.71 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.54 -46.32 88.9 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.531 1.06 . . . . 0.0 111.428 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -19.09 62.92 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.178 1.391 . . . . 0.0 113.6 176.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.6 mt -92.64 -37.58 12.34 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.489 1.515 . . . . 0.0 111.068 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -72.6 -2.57 20.46 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.54 1.936 . . . . 0.0 112.972 175.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.86 -35.6 33.44 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.348 -1.47 . . . . 0.0 113.214 178.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.89 -36.39 84.21 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.365 1.066 . . . . 0.0 112.74 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -44.89 81.21 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.626 1.57 . . . . 0.0 110.147 175.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -70.78 -29.56 65.79 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 175.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.02 78.95 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.973 0.909 . . . . 0.0 111.224 176.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 m -69.29 -29.22 67.04 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.66 -55.07 22.43 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.978 0.911 . . . . 0.0 111.402 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 p-90 -68.73 -32.63 72.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.252 0.933 . . . . 0.0 111.62 176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.65 -31.12 71.93 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.245 -0.909 . . . . 0.0 113.012 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.8 t90 -55.5 -37.3 67.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.572 1.078 . . . . 0.0 113.066 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -57.38 -22.77 44.98 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.513 1.051 . . . . 0.0 113.092 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.35 -50.78 13.36 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.346 1.058 . . . . 0.0 111.195 174.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.12 -22.36 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -55.64 -30.06 60.33 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.381 -1.449 . . . . 0.0 111.714 174.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -64.78 -38.51 91.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.128 0.971 . . . . 0.0 111.565 174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.29 -59.98 3.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.858 1.663 . . . . 0.0 111.682 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.94 -50.65 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.81 0.844 . . . . 0.0 111.859 176.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.1 t90 -59.39 -37.16 77.25 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.383 0.992 . . . . 0.0 113.214 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -60.75 -48.99 79.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.418 1.087 . . . . 0.0 112.42 175.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.4 pt -75.04 -25.22 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mttm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.311 1.844 . . . . 0.0 114.056 173.378 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -59.71 -26.43 65.6 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 120.399 1.454 . . . . 0.0 114.15 -174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -51.44 -41.27 60.7 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 112.226 174.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -68.67 -47.9 65.33 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 0.0 111.933 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.7 tp -57.64 -29.1 64.29 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 112.488 178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.1 mt -86.54 -38.13 17.5 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.913 1.285 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -75.6 1.52 14.18 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.58 1.152 . . . . 0.0 113.685 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.96 -35.04 44.87 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.007 1.73 . . . . 0.0 112.647 177.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.33 -36.17 83.21 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.237 1.015 . . . . 0.0 112.802 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.49 -48.7 69.0 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.441 1.496 . . . . 0.0 109.341 174.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -69.33 -29.64 67.51 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.56 78.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.353 1.061 . . . . 0.0 111.369 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.34 -28.86 65.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 175.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.14 -55.33 22.67 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.374 0.988 . . . . 0.0 111.43 177.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.6 p-90 -69.11 -32.33 71.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.237 0.926 . . . . 0.0 111.632 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.84 -31.26 72.24 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.188 -0.945 . . . . 0.0 113.234 175.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -55.17 -37.6 67.24 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.437 1.017 . . . . 0.0 112.806 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -57.51 -22.27 43.14 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.44 1.018 . . . . 0.0 113.196 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -76.47 -50.88 12.93 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.98 0.912 . . . . 0.0 111.247 175.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.7 -22.79 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -27.18 57.0 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.519 -1.363 . . . . 0.0 111.927 175.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -68.83 -34.28 75.23 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 118.365 -0.826 . . . . 0.0 111.893 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -66.43 -59.82 3.32 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.966 1.706 . . . . 0.0 111.299 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.99 -50.73 65.91 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.258 1.023 . . . . 0.0 111.943 174.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.2 t90 -60.87 -34.99 75.47 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -62.49 -50.73 70.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.337 1.055 . . . . 0.0 111.917 175.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 pt -72.89 -26.39 23.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.4 mttt . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.611 1.565 . . . . 0.0 113.033 174.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -37.79 80.8 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 121.392 1.905 . . . . 0.0 113.757 178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -58.13 -44.84 88.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.302 1.041 . . . . 0.0 113.217 178.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -68.03 -33.3 74.34 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.36 -0.838 . . . . 0.0 112.656 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.78 -29.07 70.32 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.788 1.235 . . . . 0.0 113.134 175.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -84.72 -35.95 22.16 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.694 1.198 . . . . 0.0 111.996 175.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -75.94 -0.68 22.32 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.288 1.435 . . . . 0.0 113.745 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -52.77 -35.16 56.05 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.226 -1.546 . . . . 0.0 113.276 178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -62.44 -35.88 80.67 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.351 1.061 . . . . 0.0 113.054 175.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.7 65.76 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.497 1.519 . . . . 0.0 110.021 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -67.8 -29.04 68.12 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.247 1.202 . . . . 0.0 114.247 176.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.12 -45.63 79.45 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 111.496 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.3 64.88 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -63.8 -55.53 22.32 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.312 0.96 . . . . 0.0 111.643 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.77 -32.96 71.74 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.376 0.989 . . . . 0.0 111.735 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -63.55 -29.08 70.39 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.204 -0.935 . . . . 0.0 113.126 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -56.08 -37.91 69.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.673 1.124 . . . . 0.0 112.533 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -56.75 -23.29 41.81 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.41 1.005 . . . . 0.0 113.017 176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -76.46 -50.92 12.84 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.954 0.901 . . . . 0.0 111.713 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -22.69 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 177.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.15 -27.96 62.34 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.426 -1.421 . . . . 0.0 112.04 176.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -69.93 -31.15 68.76 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 117.97 -1.014 . . . . 0.0 112.017 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -67.44 -60.0 2.93 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.554 1.542 . . . . 0.0 111.451 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.89 -50.68 65.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.951 0.9 . . . . 0.0 111.974 175.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 35.0 t90 -60.53 -35.73 76.7 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.72 -51.06 69.9 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.01 0.924 . . . . 0.0 112.031 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.9 pt -72.32 -27.39 26.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.5 mttm . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.161 1.784 . . . . 0.0 113.304 175.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.609 -0.234 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.69 -24.96 64.39 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.653 1.181 . . . . 0.0 113.837 -176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -58.14 -31.38 67.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.859 1.264 . . . . 0.0 112.149 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.6 -45.09 94.47 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.891 -1.131 . . . . 0.0 111.902 176.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 8' ' ' LEU . 7.1 mp -61.92 -24.07 66.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.891 0.876 . . . . 0.0 112.823 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.38 -38.12 30.97 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.966 0.907 . . . . 0.0 111.425 175.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -73.86 -1.96 21.72 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.919 1.688 . . . . 0.0 114.403 175.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 5' ' ' LEU . 1.5 mp -50.23 -35.49 26.97 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.284 -1.51 . . . . 0.0 113.521 176.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.91 -32.48 74.01 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.058 0.845 . . . . 0.0 113.127 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -70.77 -45.91 63.89 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.716 1.607 . . . . 0.0 109.741 174.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -68.67 -29.55 68.04 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.84 -48.27 75.78 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.341 1.056 . . . . 0.0 111.311 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -29.2 67.87 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 174.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.54 -55.65 19.13 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.429 1.013 . . . . 0.0 111.636 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 19.2 p-90 -69.22 -33.14 72.84 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.331 0.968 . . . . 0.0 111.778 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -63.51 -28.75 70.17 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.232 -0.917 . . . . 0.0 113.114 175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -56.33 -37.35 69.85 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.884 1.22 . . . . 0.0 112.791 174.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -57.57 -22.33 44.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.39 0.996 . . . . 0.0 113.078 175.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -76.49 -50.7 13.37 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.202 1.001 . . . . 0.0 111.205 174.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -78.22 -22.58 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -56.66 -28.14 60.05 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 120.404 -1.435 . . . . 0.0 112.108 175.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -69.37 -32.36 71.35 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 112.04 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -67.23 -59.45 3.42 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.662 1.585 . . . . 0.0 111.471 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.66 -49.3 70.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.062 0.945 . . . . 0.0 111.885 175.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -61.49 -36.61 80.94 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.073 0.851 . . . . 0.0 113.076 175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.19 -50.57 72.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.245 1.018 . . . . 0.0 112.439 175.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.6 pt -72.1 -22.16 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.449 1.9 . . . . 0.0 114.153 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 48.9 t30 . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.8 -44.59 73.93 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.947 -1.096 . . . . 0.0 113.184 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -41.45 69.45 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.967 1.307 . . . . 0.0 112.805 175.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -60.61 -48.77 80.33 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.307 0.958 . . . . 0.0 111.891 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.14 -21.52 66.8 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.47 -35.4 19.65 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.818 1.247 . . . . 0.0 111.872 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -74.23 -0.77 17.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.213 1.805 . . . . 0.0 113.261 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -50.47 -35.24 28.09 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 120.537 -1.352 . . . . 0.0 113.227 176.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -65.53 -35.28 80.4 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.356 0.98 . . . . 0.0 112.766 175.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.33 -45.1 77.42 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.25 1.42 . . . . 0.0 109.83 174.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -69.28 -30.52 68.64 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -37.94 76.74 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.165 0.986 . . . . 0.0 112.26 177.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.32 -29.36 47.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 174.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -63.01 -53.69 49.91 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.185 0.994 . . . . 0.0 111.816 177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -69.0 -33.17 73.24 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.25 0.932 . . . . 0.0 111.848 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -63.03 -29.27 70.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.131 -0.981 . . . . 0.0 112.894 174.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -56.03 -37.64 69.47 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.69 1.132 . . . . 0.0 112.67 175.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -57.19 -22.68 42.44 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.408 1.004 . . . . 0.0 113.208 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -76.39 -51.77 11.2 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.098 0.959 . . . . 0.0 111.08 175.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.38 -22.82 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 114.282 1.215 . . . . 0.0 114.282 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.2 t -56.07 -29.21 60.2 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.576 -1.328 . . . . 0.0 111.852 175.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -70.05 -30.61 67.92 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.501 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -67.66 -59.54 3.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.338 1.455 . . . . 0.0 111.339 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.06 -51.29 64.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.051 0.94 . . . . 0.0 111.457 174.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -59.89 -35.59 75.17 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -62.52 -50.84 69.76 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.735 0.814 . . . . 0.0 111.666 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.1 pt -72.64 -26.9 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.3 mttm . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.906 1.683 . . . . 0.0 112.771 175.764 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.488 1.444 0 CA-C-O 120.456 0.169 . . . . 0.0 111.265 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.66 -28.81 70.18 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -47.69 78.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.209 1.403 . . . . 0.0 112.456 176.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -66.2 -34.38 77.9 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.762 -0.586 . . . . 0.0 112.328 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -21.08 65.7 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.658 1.183 . . . . 0.0 112.984 175.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -96.85 2.73 52.11 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.667 1.987 . . . . 0.0 113.031 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -67.99 0.75 3.22 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.089 1.355 . . . . 0.0 113.494 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -48.99 -39.03 25.07 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.494 -1.379 . . . . 0.0 112.713 176.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.71 -40.12 93.92 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.085 1.354 . . . . 0.0 113.107 175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.8 -46.96 79.83 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.774 1.629 . . . . 0.0 110.279 175.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -68.29 -28.9 67.58 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -46.8 81.23 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.955 0.902 . . . . 0.0 111.17 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.6 t -69.14 -31.98 71.02 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.571 0.748 . . . . 0.0 112.908 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -61.9 -54.57 40.17 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.267 0.94 . . . . 0.0 111.858 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -69.89 -32.23 70.46 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.259 0.936 . . . . 0.0 111.713 177.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -62.85 -30.89 71.85 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.282 -0.886 . . . . 0.0 112.98 175.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -55.63 -36.2 66.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.406 1.003 . . . . 0.0 113.067 175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -58.61 -22.14 55.51 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.312 0.96 . . . . 0.0 112.907 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -76.45 -50.96 12.76 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.063 0.945 . . . . 0.0 110.902 174.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.85 -22.78 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 t -56.12 -29.62 60.93 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 120.425 -1.422 . . . . 0.0 111.84 175.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -68.32 -31.48 70.93 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 117.847 -1.073 . . . . 0.0 112.269 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -67.82 -59.7 3.09 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.528 1.531 . . . . 0.0 111.345 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -50.13 68.79 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.953 0.901 . . . . 0.0 111.87 175.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t90 -60.68 -35.62 76.7 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 174.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -61.72 -51.32 68.85 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.044 0.937 . . . . 0.0 112.003 175.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.8 pt -72.66 -26.79 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -178.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.253 1.265 0 C-N-CA 125.775 1.63 . . . . 0.0 112.776 175.38 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.6 t30 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -28.62 42.01 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-N 120.512 1.505 . . . . 0.0 114.92 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.09 -32.76 71.27 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.518 -0.739 . . . . 0.0 112.231 174.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.98 -41.67 88.13 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.406 -0.809 . . . . 0.0 111.8 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.03 -24.4 64.49 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.967 1.307 . . . . 0.0 112.892 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.5 mt -94.14 -39.08 10.76 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.922 1.689 . . . . 0.0 111.172 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -74.54 1.36 12.17 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.918 1.687 . . . . 0.0 114.049 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.8 mt -51.3 -34.73 34.49 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 120.62 1.555 . . . . 0.0 112.431 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -64.27 -41.09 97.09 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.809 1.244 . . . . 0.0 112.965 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -63.3 -47.02 84.02 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.51 1.524 . . . . 0.0 110.206 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -69.82 -29.7 67.04 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.039 1.125 . . . . 0.0 114.039 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.88 -38.76 79.54 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.206 1.002 . . . . 0.0 111.957 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -76.45 -29.63 57.03 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -63.79 -54.06 41.11 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 124.217 1.007 . . . . 0.0 111.738 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.8 p-90 -68.31 -33.16 73.82 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.268 0.94 . . . . 0.0 111.862 176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -62.93 -28.86 70.36 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.249 -0.907 . . . . 0.0 112.964 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -56.46 -37.34 70.16 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.762 175.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.6 -22.85 47.65 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.474 1.034 . . . . 0.0 113.019 176.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -76.36 -50.53 13.99 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.145 0.978 . . . . 0.0 111.346 175.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.1 tt -77.78 -22.58 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -29.78 60.11 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.355 -1.466 . . . . 0.0 111.761 174.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -65.41 -38.32 89.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.066 0.946 . . . . 0.0 111.473 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -64.06 -60.36 3.33 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.835 1.654 . . . . 0.0 111.626 -177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -48.29 72.65 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.259 1.024 . . . . 0.0 112.408 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.5 t90 -62.56 -37.11 84.88 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.07 0.85 . . . . 0.0 113.012 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -60.29 -50.41 73.74 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.681 1.193 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 pt -73.87 -25.47 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 N-CA-C 113.834 1.05 . . . . 0.0 113.834 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.875 1.67 . . . . 0.0 113.166 176.76 . . . . . . . . 0 0 . 1 stop_ save_