data_2g0u_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 2g0u _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 121.174 0.512 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -62.08 -38.87 90.47 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.536 -0.728 . . . . 10.0 111.877 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.75 -43.74 95.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.95 1.3 . . . . 10.0 111.729 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.26 -39.85 88.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.165 0.586 . . . . 10.0 112.21 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.13 -38.89 66.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.705 0.802 . . . . 10.0 113.038 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -65.91 -34.57 78.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.604 0.638 . . . . 10.0 111.404 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.72 -38.42 90.92 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.46 -0.775 . . . . 10.0 111.924 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.92 88.08 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.395 -0.816 . . . . 10.0 111.164 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.18 -25.03 67.55 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.72 1.608 . . . . 10.0 112.463 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -37.6 32.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -63.31 -32.98 74.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.757 1.162 . . . . 10.0 108.581 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.64 -38.45 73.86 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 124.635 1.174 . . . . 10.0 111.984 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -61.77 -37.6 84.89 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 119.812 -1.805 . . . . 10.0 111.182 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.23 -31.53 71.31 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.71 86.8 4.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.567 1.547 . . . . 10.0 111.576 172.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -45.42 -27.64 3.43 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.769 3.646 . . . . 10.0 119.231 -169.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -127.65 29.67 5.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.509 1.67 . . . . 10.0 115.509 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.18 124.1 78.84 Favored Pre-proline 0 N--CA 1.47 0.551 0 N-CA-C 105.252 -2.129 . . . . 10.0 105.252 167.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.25 -26.32 25.41 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.572 1.515 . . . . 10.0 115.664 -168.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.59 -40.88 40.69 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.042 1.292 . . . . 10.0 110.8 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.9 77.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.541 1.064 . . . . 10.0 111.803 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -35.17 40.88 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 123.905 0.882 . . . . 10.0 110.927 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.37 98.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.842 0.857 . . . . 10.0 111.003 169.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.14 -53.6 42.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.553 1.541 . . . . 10.0 110.859 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -55.38 -45.31 76.59 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.027 -0.987 . . . . 10.0 112.637 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -65.97 -37.23 85.44 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 120.481 1.491 . . . . 10.0 112.863 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.8 ttp -68.2 -49.0 63.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.459 1.104 . . . . 10.0 112.27 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.23 -34.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.559 0.744 . . . . 10.0 109.699 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.9 ttm -68.53 -35.3 77.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.86 0.754 . . . . 10.0 112.963 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -60.53 -42.77 97.17 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.645 0.778 . . . . 10.0 111.159 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.05 -42.15 73.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.289 0.848 . . . . 10.0 113.289 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.12 -52.62 63.68 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.548 1.539 . . . . 10.0 111.3 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 122.507 0.323 . . . . 10.0 111.406 -174.697 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.64 -18.87 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.353 1.461 . . . . 10.0 113.785 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -117.95 7.1 12.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.723 1.609 . . . . 10.0 113.39 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -31.32 65.01 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.77 -31.67 72.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.476 1.11 . . . . 10.0 113.223 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.32 -42.61 18.54 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.338 1.055 . . . . 10.0 111.307 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.35 -32.15 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.574 1.149 . . . . 10.0 111.926 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -61.41 -14.69 30.07 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.473 1.286 . . . . 10.0 114.473 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -126.41 -20.22 4.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.96 1.704 . . . . 10.0 113.452 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 127.353 2.261 . . . . 10.0 110.648 -175.336 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 121.348 0.594 . . . . 10.0 111.334 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -37.02 83.74 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.472 -0.767 . . . . 10.0 111.71 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.79 -42.04 86.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.487 1.115 . . . . 10.0 111.968 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.39 -40.21 85.84 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.672 0.789 . . . . 10.0 111.816 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.7 tp -71.26 -41.64 69.82 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.36 -32.53 74.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.359 0.527 . . . . 10.0 111.695 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.83 -40.35 83.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.387 -0.821 . . . . 10.0 112.124 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.74 85.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.67 0.668 . . . . 10.0 111.01 171.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -29.0 70.11 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 125.819 1.648 . . . . 10.0 111.977 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.13 -34.11 38.03 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 120.028 1.286 . . . . 10.0 114.416 169.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.36 -35.04 77.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.938 1.245 . . . . 10.0 108.167 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.83 -36.02 72.71 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 125.469 1.507 . . . . 10.0 112.737 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -63.17 -38.05 89.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 119.503 -1.998 . . . . 10.0 110.801 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.88 -32.9 72.33 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -151.53 90.63 3.96 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.465 1.506 . . . . 10.0 111.932 170.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -48.6 -25.86 8.41 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 124.774 3.649 . . . . 10.0 118.088 -169.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 p -129.24 29.26 5.16 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.032 1.864 . . . . 10.0 116.032 171.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.17 124.8 82.04 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 105.541 -2.022 . . . . 10.0 105.541 167.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.71 -26.4 27.85 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.711 1.607 . . . . 10.0 115.546 -168.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 m -78.67 -40.19 34.67 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.987 1.267 . . . . 10.0 110.988 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.01 79.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.498 1.044 . . . . 10.0 111.622 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -35.66 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.925 0.89 . . . . 10.0 110.945 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.94 97.11 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 10.0 111.21 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.14 -54.52 28.5 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.301 1.44 . . . . 10.0 110.794 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -53.83 -44.22 70.08 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.182 -0.913 . . . . 10.0 112.874 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -65.19 -39.7 93.2 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.356 1.435 . . . . 10.0 112.735 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.97 -46.21 75.34 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.466 1.106 . . . . 10.0 112.342 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.56 -36.07 64.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.93 0.892 . . . . 10.0 109.886 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -69.91 -32.72 71.18 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.409 -0.807 . . . . 10.0 112.814 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -59.65 -35.95 75.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.971 0.908 . . . . 10.0 111.826 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.72 -41.81 36.53 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.023 0.929 . . . . 10.0 112.699 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -64.23 -43.45 94.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.892 1.277 . . . . 10.0 113.45 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 123.469 0.707 . . . . 10.0 111.259 -176.445 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 111.413 0.153 . . . . 10.0 111.413 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.84 -27.71 60.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.036 0.934 . . . . 10.0 112.82 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -58.77 -31.42 68.36 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.027 0.931 . . . . 10.0 113.381 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.7 tpt -60.91 -26.05 67.18 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -28.55 69.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.892 0.877 . . . . 10.0 113.078 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.65 -38.69 58.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.522 0.729 . . . . 10.0 112.08 171.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.04 -36.26 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.524 1.129 . . . . 10.0 111.786 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.15 -21.81 35.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.644 1.178 . . . . 10.0 113.808 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -58.38 -21.22 49.44 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.349 1.06 . . . . 10.0 113.613 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 114.778 1.399 . . . . 10.0 114.778 174.264 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 121.209 0.528 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -62.05 -36.08 80.56 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.547 -0.72 . . . . 10.0 111.916 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -64.04 -41.97 97.21 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.379 1.472 . . . . 10.0 111.934 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.98 -41.07 95.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 10.0 111.747 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.5 tp -72.35 -37.47 68.83 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.49 -33.16 74.54 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.516 0.727 . . . . 10.0 111.91 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.98 -42.63 97.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.919 0.782 . . . . 10.0 110.522 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.22 85.65 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 122.103 -0.373 . . . . 10.0 111.398 172.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.63 -25.89 65.96 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.99 1.316 . . . . 10.0 112.501 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.57 34.84 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 169.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.7 -33.5 75.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.497 1.044 . . . . 10.0 108.511 169.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.73 -36.12 70.37 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 125.058 1.343 . . . . 10.0 111.875 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -62.97 -38.23 90.29 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 119.512 -1.993 . . . . 10.0 111.032 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.31 -32.24 72.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.742 0.817 . . . . 10.0 113.156 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -151.23 89.89 4.16 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.474 1.51 . . . . 10.0 111.984 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -48.79 -24.37 6.9 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.693 3.595 . . . . 10.0 118.379 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -129.96 28.2 5.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 116.109 1.892 . . . . 10.0 116.109 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.3 70.08 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 105.434 -2.061 . . . . 10.0 105.434 167.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.54 -26.53 28.52 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 121.674 1.582 . . . . 10.0 115.17 -168.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -40.9 41.25 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.857 1.208 . . . . 10.0 110.917 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.75 79.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 119.653 1.115 . . . . 10.0 111.875 170.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -36.01 40.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.021 0.928 . . . . 10.0 110.791 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.67 97.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.788 0.835 . . . . 10.0 110.791 169.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.23 -53.92 37.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.512 1.525 . . . . 10.0 111.041 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.94 -44.32 78.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.892 -1.051 . . . . 10.0 112.491 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.03 -39.81 93.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.645 1.566 . . . . 10.0 112.835 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.53 -46.78 71.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.824 1.25 . . . . 10.0 112.296 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.64 -35.36 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.87 0.868 . . . . 10.0 110.059 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 38.1 ttm -69.15 -33.84 74.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 118.805 0.729 . . . . 10.0 112.761 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -58.57 -47.46 84.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.548 0.739 . . . . 10.0 110.603 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.24 -42.85 92.96 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.75 -49.35 78.07 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.505 1.122 . . . . 10.0 111.911 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 123.115 0.566 . . . . 10.0 111.29 -175.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 119.06 -0.495 . . . . 10.0 111.61 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -68.04 -32.32 72.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.486 1.039 . . . . 10.0 113.365 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -107.4 11.49 28.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.32 . . . . 10.0 113.525 -171.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -52.49 -34.78 50.93 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.204 1.365 . . . . 10.0 113.911 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -59.91 -12.46 7.78 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.041 2.136 . . . . 10.0 115.487 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.08 17.08 6.15 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.53 2.332 . . . . 10.0 111.583 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.71 -41.7 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.554 1.942 . . . . 10.0 109.667 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.59 -24.81 64.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.241 -0.912 . . . . 10.0 112.7 171.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -80.33 -9.82 59.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.236 1.814 . . . . 10.0 114.934 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -169.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.547 0.689 . . . . 10.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.05 -37.21 81.81 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.673 -0.642 . . . . 10.0 111.7 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.36 -37.54 77.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.76 . . . . 10.0 112.899 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.48 -41.41 94.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.859 0.864 . . . . 10.0 111.475 170.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -69.96 -37.95 75.97 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -64.58 -35.55 81.36 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.52 0.6 . . . . 10.0 111.803 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.26 -38.22 87.33 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.412 -0.805 . . . . 10.0 111.985 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.8 88.49 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.346 -0.846 . . . . 10.0 111.125 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.02 -25.68 67.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 125.466 1.506 . . . . 10.0 112.364 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -37.22 34.08 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 169.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -62.86 -34.46 77.42 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.8 1.182 . . . . 10.0 108.579 168.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.75 -35.66 72.75 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 124.699 1.199 . . . . 10.0 112.241 169.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -64.29 -38.28 90.48 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 119.38 -2.075 . . . . 10.0 110.999 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -32.93 72.58 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.877 0.871 . . . . 10.0 113.015 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -150.86 90.28 4.21 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.513 1.525 . . . . 10.0 112.308 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -48.94 -24.18 6.96 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 124.742 3.628 . . . . 10.0 118.33 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.7 p -130.17 27.89 5.06 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 116.221 1.934 . . . . 10.0 116.221 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.69 124.9 78.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 106.006 -1.85 . . . . 10.0 106.006 167.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.87 -27.83 25.44 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 121.515 1.477 . . . . 10.0 115.537 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -75.2 -42.46 55.61 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.141 1.337 . . . . 10.0 110.975 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 119.555 1.071 . . . . 10.0 111.793 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -36.39 40.59 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.885 0.874 . . . . 10.0 110.869 -177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.53 96.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.067 0.947 . . . . 10.0 111.165 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.77 -53.78 35.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.606 1.562 . . . . 10.0 110.893 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.39 -44.99 72.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.11 -0.948 . . . . 10.0 112.678 171.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -64.93 -39.31 93.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.274 1.397 . . . . 10.0 112.739 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 67.2 ttp -68.08 -46.06 72.08 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.548 1.139 . . . . 10.0 112.65 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.24 -35.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 123.922 0.889 . . . . 10.0 109.796 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.7 ttm -68.28 -34.89 76.99 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.457 -0.777 . . . . 10.0 113.054 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.7 m -61.15 -33.76 73.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.18 0.992 . . . . 10.0 112.089 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.16 -42.37 31.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.635 0.774 . . . . 10.0 112.679 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.36 -47.43 81.65 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.451 1.5 . . . . 10.0 112.39 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -171.497 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 118.398 -0.81 . . . . 10.0 112.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -54.51 -41.42 69.62 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.025 1.284 . . . . 10.0 112.671 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 m -72.97 -9.53 58.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.015 1.326 . . . . 10.0 114.561 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 tpt -112.47 -39.2 4.44 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.906 1.282 . . . . 10.0 112.312 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.01 -33.78 69.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.986 1.314 . . . . 10.0 112.621 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.29 -24.26 58.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.722 1.209 . . . . 10.0 113.887 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mm -98.99 -45.15 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.29 1.436 . . . . 10.0 110.805 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.13 -27.77 67.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.041 1.337 . . . . 10.0 113.548 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.2 t -51.64 -26.88 9.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.432 1.493 . . . . 10.0 113.828 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 124.994 1.317 . . . . 10.0 114.141 173.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.713 0.768 . . . . 10.0 110.72 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -65.48 -33.96 77.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.36 -0.838 . . . . 10.0 112.295 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.13 -39.33 89.79 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.842 0.857 . . . . 10.0 112.505 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.5 -40.7 87.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.916 0.886 . . . . 10.0 111.355 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.33 -38.05 71.7 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.66 0.784 . . . . 10.0 112.879 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.94 -32.93 74.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.547 0.612 . . . . 10.0 112.188 170.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.98 -36.97 83.37 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.206 -0.934 . . . . 10.0 111.837 169.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.13 87.46 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.332 -0.855 . . . . 10.0 110.811 169.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.92 -24.97 67.69 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.436 1.494 . . . . 10.0 112.31 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.39 -37.33 32.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -63.6 -33.55 75.86 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.723 1.147 . . . . 10.0 108.607 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.8 -37.36 73.26 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 124.729 1.212 . . . . 10.0 112.005 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -62.81 -38.0 88.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.779 -1.826 . . . . 10.0 111.032 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -59.87 -34.07 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.24 86.49 4.78 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.315 1.446 . . . . 10.0 111.59 174.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -47.06 -23.52 2.77 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.89 3.727 . . . . 10.0 119.439 -169.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -130.07 31.05 4.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 124.4 82.0 Favored Pre-proline 0 N--CA 1.47 0.538 0 N-CA-C 105.445 -2.057 . . . . 10.0 105.445 167.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.98 -25.46 27.55 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.695 1.597 . . . . 10.0 115.363 -168.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 m -78.72 -41.07 31.9 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.883 1.22 . . . . 10.0 110.858 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.7 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.465 1.03 . . . . 10.0 111.765 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -35.15 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.213 1.005 . . . . 10.0 110.806 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.43 98.46 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.873 0.869 . . . . 10.0 110.79 169.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.68 -53.5 40.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.624 1.57 . . . . 10.0 110.949 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.39 -46.01 73.01 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.909 -1.043 . . . . 10.0 112.442 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -64.61 -39.79 94.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.527 1.512 . . . . 10.0 112.693 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.87 -47.3 75.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.694 1.198 . . . . 10.0 112.575 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.08 -35.52 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.738 0.815 . . . . 10.0 109.748 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.0 ttm -68.39 -33.95 75.17 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -59.72 -45.66 91.48 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.861 0.755 . . . . 10.0 110.93 169.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.5 -44.81 89.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.29 0.636 . . . . 10.0 112.564 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.6 -48.2 82.82 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.42 1.088 . . . . 10.0 112.534 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 123.477 0.711 . . . . 10.0 110.903 -175.507 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.94 -22.86 67.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.1 1.36 . . . . 10.0 114.31 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -118.52 11.95 13.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.938 1.695 . . . . 10.0 113.014 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.18 -38.37 57.59 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.383 1.073 . . . . 10.0 113.606 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.35 -23.24 66.94 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.027 1.331 . . . . 10.0 114.078 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -87.84 -41.29 13.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.562 1.145 . . . . 10.0 111.459 172.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -34.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.029 0.932 . . . . 10.0 111.848 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.84 -16.82 19.06 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.3 1.44 . . . . 10.0 114.814 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.5 m -125.49 -8.39 6.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.811 1.644 . . . . 10.0 113.836 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 10.0 111.159 -173.27 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.697 0.76 . . . . 10.0 111.072 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.697 0.76 . . . . 10.0 111.072 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.027 0.442 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.17 -38.03 89.56 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.661 -0.649 . . . . 10.0 111.599 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.01 -41.64 90.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.743 1.217 . . . . 10.0 112.313 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.0 -41.3 96.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.639 0.776 . . . . 10.0 112.054 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.43 -36.97 68.7 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.28 1.032 . . . . 10.0 113.047 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.23 -34.01 77.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.294 0.638 . . . . 10.0 111.616 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.25 -36.57 81.89 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.405 -0.809 . . . . 10.0 111.761 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.38 89.91 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.53 -0.732 . . . . 10.0 110.657 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.25 -24.67 66.63 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.385 1.474 . . . . 10.0 112.39 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -38.18 32.38 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.947 1.249 . . . . 10.0 113.803 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.85 -32.47 73.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.89 1.223 . . . . 10.0 109.107 169.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.61 -36.63 68.12 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.54 1.136 . . . . 10.0 111.867 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -63.14 -37.91 89.11 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 119.373 -2.079 . . . . 10.0 111.091 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -61.28 -32.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.513 1.125 . . . . 10.0 112.598 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -152.39 91.22 3.62 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.859 1.664 . . . . 10.0 112.049 169.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -48.69 -24.28 6.59 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 124.73 3.62 . . . . 10.0 118.35 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -130.15 27.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.73 124.55 76.74 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 105.55 -2.019 . . . . 10.0 105.55 167.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.16 -27.08 25.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 121.548 1.499 . . . . 10.0 115.229 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 m -76.49 -40.77 49.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.816 1.189 . . . . 10.0 110.961 170.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.49 80.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 119.498 1.044 . . . . 10.0 111.885 170.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -35.33 44.05 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.919 0.888 . . . . 10.0 110.779 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.67 98.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.022 0.929 . . . . 10.0 110.963 169.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -64.92 -54.09 36.19 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.458 1.503 . . . . 10.0 110.986 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -55.33 -44.41 75.85 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.8 171.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -66.54 -37.96 86.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.282 1.401 . . . . 10.0 112.783 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.0 ttp -66.21 -48.61 70.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.533 1.133 . . . . 10.0 112.289 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.21 -36.69 76.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 123.663 0.785 . . . . 10.0 109.819 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.6 -34.72 76.28 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.025 0.829 . . . . 10.0 113.074 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -59.89 -47.99 83.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.897 0.879 . . . . 10.0 110.669 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.66 -43.81 92.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.73 -47.98 83.48 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.687 1.195 . . . . 10.0 112.529 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 123.068 0.547 . . . . 10.0 110.617 -179.735 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 119.798 -0.144 . . . . 10.0 111.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.76 -51.65 68.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.576 0.75 . . . . 10.0 111.037 169.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -59.54 -38.06 80.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.271 1.028 . . . . 10.0 113.311 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 ttt -57.1 -46.28 82.72 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.854 0.752 . . . . 10.0 111.964 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.65 -37.4 65.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.474 1.109 . . . . 10.0 112.485 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.8 -46.81 83.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.585 1.154 . . . . 10.0 112.021 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.81 -36.36 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.243 1.017 . . . . 10.0 111.868 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.26 -32.6 74.26 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.464 -0.773 . . . . 10.0 112.702 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t -86.4 -36.04 19.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.022 1.329 . . . . 10.0 113.448 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 126.66 1.984 . . . . 10.0 110.687 -170.007 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.331 0.586 . . . . 10.0 110.379 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.53 -37.58 87.84 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.499 -0.75 . . . . 10.0 112.09 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -40.68 97.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 10.0 112.22 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.96 -40.37 95.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.012 0.525 . . . . 10.0 111.814 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -73.72 -37.86 65.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.14 -33.2 75.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.857 0.753 . . . . 10.0 112.132 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.75 -38.08 88.12 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.277 -0.889 . . . . 10.0 111.751 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.57 85.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.624 -0.673 . . . . 10.0 110.963 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.87 -25.69 66.53 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 125.67 1.588 . . . . 10.0 112.602 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.58 34.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.145 1.339 . . . . 10.0 114.529 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.66 -29.71 70.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.006 1.276 . . . . 10.0 108.669 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tp -74.48 -37.18 63.26 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.97 0.908 . . . . 10.0 111.806 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 m -63.05 -35.88 81.7 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.357 -2.09 . . . . 10.0 110.936 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -35.31 74.01 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.139 1.776 . . . . 10.0 112.429 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -154.34 93.81 2.86 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.756 1.622 . . . . 10.0 111.328 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -48.52 -24.61 6.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.425 3.417 . . . . 10.0 118.213 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.1 p -129.97 28.68 5.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 121.51 56.3 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.376 -2.083 . . . . 10.0 105.376 167.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.93 -26.85 31.2 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 121.717 1.612 . . . . 10.0 114.857 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.1 m -75.9 -42.32 49.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.79 1.177 . . . . 10.0 110.736 170.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.27 76.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.641 1.11 . . . . 10.0 112.131 171.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -35.26 37.91 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 110.908 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.47 99.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.02 0.928 . . . . 10.0 110.885 169.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -65.26 -52.97 51.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.485 1.514 . . . . 10.0 110.877 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -54.47 -45.46 73.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.791 170.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.28 -38.57 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.292 1.406 . . . . 10.0 112.478 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.62 -48.99 67.74 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.309 1.044 . . . . 10.0 112.343 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.45 -34.92 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 10.0 110.035 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.8 ttm -70.0 -33.78 72.48 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 121.56 -0.712 . . . . 10.0 112.413 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 m -60.33 -46.58 89.41 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.408 0.683 . . . . 10.0 110.56 169.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.14 -43.39 92.03 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -59.09 -49.11 79.13 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.74 1.216 . . . . 10.0 111.897 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 123.011 0.525 . . . . 10.0 111.161 -177.518 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.531 0.937 . . . . 10.0 113.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -113.17 -8.07 13.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.296 1.438 . . . . 10.0 114.006 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -140.74 19.55 2.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.541 1.537 . . . . 10.0 113.484 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 tpt -48.66 -48.74 39.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.113 1.365 . . . . 10.0 114.344 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.49 -28.44 66.06 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.54 -44.69 64.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.307 0.643 . . . . 10.0 111.135 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.01 -47.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.238 0.615 . . . . 10.0 110.523 175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.24 -15.72 17.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.672 1.189 . . . . 10.0 114.136 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.0 m -106.8 -10.5 16.05 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.44 1.496 . . . . 10.0 114.354 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 116.305 1.965 . . . . 10.0 116.305 -169.531 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 121.029 0.443 . . . . 10.0 110.804 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.35 -40.4 90.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.706 -0.621 . . . . 10.0 111.3 170.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.47 -37.56 80.28 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.422 1.089 . . . . 10.0 112.493 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.11 -42.81 95.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.14 0.576 . . . . 10.0 111.596 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.1 -37.25 69.57 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.929 0.892 . . . . 10.0 112.994 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -66.48 -34.48 78.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.669 0.787 . . . . 10.0 111.455 171.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.73 -37.16 85.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.806 0.73 . . . . 10.0 111.674 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.58 85.51 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.477 -0.764 . . . . 10.0 110.782 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -66.78 -24.79 66.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.576 1.551 . . . . 10.0 112.659 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -37.52 33.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.965 1.257 . . . . 10.0 114.258 169.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -64.56 -32.3 73.89 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.65 1.114 . . . . 10.0 109.0 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -71.94 -34.34 68.95 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.186 0.995 . . . . 10.0 111.624 168.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -65.3 -38.73 91.14 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 119.264 -2.147 . . . . 10.0 110.994 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -60.81 -32.18 71.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.742 0.817 . . . . 10.0 112.903 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -151.24 89.89 4.16 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.432 1.493 . . . . 10.0 112.431 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -48.91 -24.56 7.4 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 124.695 3.597 . . . . 10.0 118.483 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.3 p -130.02 28.35 5.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 171.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.38 125.01 80.86 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.57 -27.91 26.81 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.742 1.628 . . . . 10.0 115.632 -168.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 m -77.14 -41.29 42.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.99 1.268 . . . . 10.0 111.04 171.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.11 74.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 119.601 1.091 . . . . 10.0 111.743 170.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -35.99 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.949 0.899 . . . . 10.0 111.125 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.79 97.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.037 0.935 . . . . 10.0 111.225 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.58 -53.12 46.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.512 1.525 . . . . 10.0 110.909 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.44 -45.44 73.05 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 118.112 -0.947 . . . . 10.0 112.784 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.33 -38.59 90.61 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.271 1.396 . . . . 10.0 112.579 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.4 ttp -67.64 -48.48 66.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.352 1.061 . . . . 10.0 112.579 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.79 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.616 0.766 . . . . 10.0 109.697 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 ttm -68.76 -35.56 77.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.196 0.907 . . . . 10.0 113.07 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -60.67 -45.68 93.24 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.843 0.857 . . . . 10.0 111.246 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -67.48 -41.69 84.17 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.484 0.714 . . . . 10.0 112.678 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.49 -50.62 72.45 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.179 1.392 . . . . 10.0 111.977 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 122.867 0.467 . . . . 10.0 111.008 -176.282 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 119.557 -0.259 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -54.76 -38.96 67.84 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.134 1.374 . . . . 10.0 112.971 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 12.81 19.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.89 1.276 . . . . 10.0 113.518 -171.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.4 ttp -51.08 -44.86 61.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.534 1.134 . . . . 10.0 113.784 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.3 -27.81 69.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.06 -40.28 17.0 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.312 1.045 . . . . 10.0 111.474 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.39 -41.19 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.974 1.31 . . . . 10.0 111.303 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.73 -34.96 76.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.832 0.853 . . . . 10.0 113.133 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -77.92 -35.47 50.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.321 1.048 . . . . 10.0 112.357 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.475 0.805 0 C-N-CA 126.059 1.744 . . . . 10.0 114.529 -178.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 121.805 0.812 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.63 -33.78 75.72 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.527 -0.733 . . . . 10.0 111.855 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.41 -48.57 80.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.704 1.202 . . . . 10.0 110.817 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -57.65 -38.47 75.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.352 0.661 . . . . 10.0 111.655 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.9 tp -73.72 -39.1 64.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.75 -32.37 73.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.755 0.707 . . . . 10.0 112.102 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.48 -42.38 92.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.935 1.294 . . . . 10.0 110.849 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.89 85.87 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.447 -0.783 . . . . 10.0 111.129 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -66.44 -24.7 66.49 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.155 1.382 . . . . 10.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -37.57 32.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.039 1.29 . . . . 10.0 114.282 169.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -62.91 -34.88 78.35 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.723 1.147 . . . . 10.0 108.512 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.13 -35.25 73.95 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 124.611 1.164 . . . . 10.0 112.167 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 m -64.56 -38.33 90.64 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 119.421 -2.049 . . . . 10.0 110.941 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.98 -30.89 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.108 0.781 . . . . 10.0 113.108 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -151.8 90.59 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.468 1.507 . . . . 10.0 112.302 170.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -49.14 -24.51 8.0 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.716 3.611 . . . . 10.0 118.416 -169.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -129.95 29.29 4.98 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 116.001 1.852 . . . . 10.0 116.001 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.24 125.31 83.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.651 -1.981 . . . . 10.0 105.651 167.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.04 -24.82 23.41 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 121.604 1.536 . . . . 10.0 115.569 -168.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -78.79 -40.93 31.74 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.047 1.294 . . . . 10.0 110.712 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.24 78.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.273 0.942 . . . . 10.0 111.813 169.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -35.34 40.07 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.919 0.888 . . . . 10.0 110.966 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.16 98.59 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.796 0.838 . . . . 10.0 110.918 169.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -65.25 -53.25 47.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.362 1.465 . . . . 10.0 110.939 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.49 -45.77 73.29 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.022 -0.99 . . . . 10.0 112.584 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.11 -37.99 89.25 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.5 1.5 . . . . 10.0 112.941 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -68.6 -46.42 69.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.587 1.155 . . . . 10.0 112.474 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.34 -35.48 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -67.78 -32.16 72.55 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.465 -0.772 . . . . 10.0 112.555 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.8 m -62.16 -41.93 98.78 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.428 0.691 . . . . 10.0 111.343 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.4 -42.2 79.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -62.65 -44.44 96.27 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.233 1.013 . . . . 10.0 112.28 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 123.365 0.666 . . . . 10.0 111.202 -179.324 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 119.508 -0.282 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.15 -33.32 67.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.656 0.782 . . . . 10.0 112.597 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -65.15 -4.4 4.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.025 1.73 . . . . 10.0 114.912 174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -54.47 -27.9 40.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.422 1.464 . . . . 10.0 114.114 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -65.05 -32.3 73.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.664 1.186 . . . . 10.0 113.257 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -77.41 -37.88 50.92 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 10.0 111.455 172.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.12 -41.4 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.52 0.728 . . . . 10.0 111.439 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.72 -23.77 53.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.03 1.332 . . . . 10.0 114.183 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -74.82 -12.19 60.33 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.48 1.065 0 C-N-CA 125.126 1.37 . . . . 10.0 114.598 -171.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.567 0.699 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -62.22 -38.7 90.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.611 -0.681 . . . . 10.0 111.904 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.63 -39.42 88.28 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.928 1.291 . . . . 10.0 112.161 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -58.88 -41.47 87.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.366 0.666 . . . . 10.0 111.426 170.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.29 -39.95 64.92 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.396 0.887 . . . . 10.0 113.396 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.47 -32.12 73.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.48 0.582 . . . . 10.0 111.718 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.98 -37.33 84.03 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.394 -0.816 . . . . 10.0 111.697 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.99 88.3 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.375 -0.828 . . . . 10.0 111.025 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -66.65 -25.33 66.52 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.363 1.465 . . . . 10.0 112.523 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.72 34.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.115 1.325 . . . . 10.0 114.305 169.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -64.94 -32.29 73.93 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.667 1.121 . . . . 10.0 109.086 168.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -72.13 -33.69 67.98 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 124.177 0.991 . . . . 10.0 111.75 168.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -65.35 -38.99 91.76 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 119.359 -2.088 . . . . 10.0 110.956 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -60.49 -33.28 72.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.745 0.818 . . . . 10.0 112.875 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -150.4 92.09 4.04 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.188 1.395 . . . . 10.0 112.452 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -51.41 -18.35 5.4 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 124.923 3.749 . . . . 10.0 118.472 -170.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.313 30.6 t -137.59 34.59 2.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 169.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.23 126.31 91.1 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 104.648 -2.352 . . . . 10.0 104.648 167.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.16 -26.76 25.34 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.51 1.473 . . . . 10.0 115.723 -168.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -76.92 -41.29 44.04 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.117 1.326 . . . . 10.0 110.879 170.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.25 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.604 1.093 . . . . 10.0 111.916 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.46 -36.09 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.778 0.831 . . . . 10.0 110.98 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.24 95.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.84 0.856 . . . . 10.0 111.119 169.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -66.2 -53.74 33.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.51 1.524 . . . . 10.0 110.962 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.24 -43.65 74.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.161 -0.923 . . . . 10.0 112.998 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.03 -43.07 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.147 1.34 . . . . 10.0 112.181 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.9 ttp -64.36 -48.3 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.224 1.01 . . . . 10.0 112.295 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.52 -35.62 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.782 0.833 . . . . 10.0 110.206 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.0 ttm -69.07 -36.67 77.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.012 0.824 . . . . 10.0 112.72 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -56.84 -43.72 81.37 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.694 0.797 . . . . 10.0 111.184 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.52 -44.11 71.67 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.504 0.928 . . . . 10.0 113.504 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -58.99 -48.46 81.48 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.802 1.241 . . . . 10.0 112.23 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.8 t30 . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 123.336 0.654 . . . . 10.0 111.177 -177.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.6 t . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.07 3.03 27.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.6 1.96 . . . . 10.0 113.307 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -135.17 10.21 3.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.815 1.646 . . . . 10.0 113.491 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -50.01 -44.64 51.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.686 1.594 . . . . 10.0 113.843 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.63 -33.02 73.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.23 -37.23 66.46 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.623 0.769 . . . . 10.0 111.835 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.99 -44.46 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.051 0.94 . . . . 10.0 110.7 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.7 -39.83 85.89 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.349 1.06 . . . . 10.0 112.251 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.2 m -68.18 -4.54 14.25 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.225 1.41 . . . . 10.0 114.336 171.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.475 0.814 0 C-N-CA 126.269 1.828 . . . . 10.0 113.293 -176.161 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.649 0.738 . . . . 10.0 110.777 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.567 -0.708 . . . . 10.0 111.866 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.72 -38.12 86.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.941 0.896 . . . . 10.0 112.537 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.83 -39.81 86.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.84 0.856 . . . . 10.0 111.47 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -72.45 -38.47 68.26 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 113.033 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -65.99 -33.08 74.99 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.63 0.65 . . . . 10.0 111.994 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.03 -37.24 85.38 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.396 -0.815 . . . . 10.0 111.824 170.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.1 83.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.458 -0.776 . . . . 10.0 110.691 169.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.05 -24.66 66.78 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.383 1.473 . . . . 10.0 112.446 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -36.78 34.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 169.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -65.17 -32.68 74.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.091 1.314 . . . . 10.0 108.667 168.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.42 -36.48 71.33 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 123.892 0.877 . . . . 10.0 111.505 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.0 m -64.24 -37.41 87.38 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 119.316 -2.115 . . . . 10.0 110.984 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -59.4 -36.2 75.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.853 1.661 . . . . 10.0 112.57 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -151.54 92.2 3.72 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.241 1.416 . . . . 10.0 112.143 169.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -48.45 -26.19 8.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 124.879 3.72 . . . . 10.0 118.46 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.5 p -129.94 28.02 5.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.973 1.842 . . . . 10.0 115.973 171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.59 125.45 82.51 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 167.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.17 -26.86 25.21 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.526 1.484 . . . . 10.0 115.547 -168.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -77.57 -40.53 42.03 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.098 1.317 . . . . 10.0 111.024 171.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 119.668 1.122 . . . . 10.0 111.811 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -36.06 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.883 0.873 . . . . 10.0 110.944 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.65 97.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.965 0.906 . . . . 10.0 111.009 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.54 -53.94 35.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.542 1.537 . . . . 10.0 110.902 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -55.3 -43.84 75.21 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.335 -0.84 . . . . 10.0 112.921 171.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.85 -39.64 90.96 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 120.236 1.38 . . . . 10.0 112.698 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.2 ttp -66.52 -47.46 72.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.456 1.103 . . . . 10.0 112.442 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.83 -36.75 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.852 0.861 . . . . 10.0 110.058 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -69.2 -36.22 77.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.953 0.797 . . . . 10.0 112.837 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.8 t -57.34 -50.09 74.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.765 0.826 . . . . 10.0 110.437 170.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.88 -43.08 97.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.78 -48.28 81.78 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.09 1.356 . . . . 10.0 112.239 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 t30 . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 122.634 0.374 . . . . 10.0 111.52 -175.703 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.59 -0.96 42.09 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.136 1.375 . . . . 10.0 114.056 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.6 m -135.86 -9.02 2.1 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -46.32 -46.04 17.91 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.044 1.498 . . . . 10.0 115.044 -169.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.59 -29.99 71.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.304 1.042 . . . . 10.0 113.698 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -85.55 -40.21 16.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.067 0.947 . . . . 10.0 111.992 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.54 -35.43 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.986 0.914 . . . . 10.0 111.767 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.95 -16.98 7.96 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.897 1.279 . . . . 10.0 114.355 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.4 m -126.86 9.01 6.88 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.499 1.919 . . . . 10.0 113.104 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 125.37 1.468 . . . . 10.0 112.311 -173.234 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 CA-C-O 121.178 0.514 . . . . 10.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -61.11 -38.26 85.68 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.453 -0.779 . . . . 10.0 111.251 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -58.7 -46.7 86.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.763 2.025 . . . . 10.0 111.888 170.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -61.73 -40.64 95.8 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.103 0.561 . . . . 10.0 112.014 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -74.2 -39.19 63.3 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.7 -30.96 70.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.441 0.564 . . . . 10.0 111.888 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.21 -37.42 83.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.914 0.779 . . . . 10.0 111.267 169.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.13 87.23 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.469 -0.769 . . . . 10.0 110.705 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.08 -23.81 66.59 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.05 1.34 . . . . 10.0 112.568 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.15 -38.72 30.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.048 1.295 . . . . 10.0 114.232 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -62.61 -34.6 77.35 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.942 1.246 . . . . 10.0 108.768 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.39 -35.83 76.18 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 124.478 1.111 . . . . 10.0 111.962 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -63.45 -38.61 91.8 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 119.802 -1.811 . . . . 10.0 110.818 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -59.83 -32.74 70.95 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.77 87.77 4.35 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.424 1.489 . . . . 10.0 111.958 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -47.06 -24.45 3.36 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.957 3.771 . . . . 10.0 119.284 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 p -129.98 30.95 4.76 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 171.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 125.04 84.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 168.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.06 -25.93 26.7 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 121.583 1.522 . . . . 10.0 115.598 -168.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -78.33 -41.17 34.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.066 1.303 . . . . 10.0 110.86 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.05 -41.9 75.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.402 1.001 . . . . 10.0 111.771 170.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.83 -35.18 38.71 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.939 0.895 . . . . 10.0 110.932 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.8 98.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.825 0.85 . . . . 10.0 111.013 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.09 -53.56 43.63 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.575 1.55 . . . . 10.0 110.806 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -54.27 -45.63 72.5 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.127 -0.939 . . . . 10.0 112.735 171.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -65.85 -37.08 85.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.41 1.459 . . . . 10.0 112.892 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -69.18 -46.15 68.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.614 1.165 . . . . 10.0 112.696 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.88 -36.14 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.654 0.782 . . . . 10.0 109.809 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.6 ttm -68.27 -33.97 75.34 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.557 -0.714 . . . . 10.0 112.677 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.0 m -60.46 -47.2 87.13 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.424 0.69 . . . . 10.0 110.719 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.6 -45.27 91.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.398 0.679 . . . . 10.0 112.717 174.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.54 -48.52 79.08 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.05 1.34 . . . . 10.0 112.127 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.6 t30 . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 123.033 0.533 . . . . 10.0 111.27 -176.306 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.751 0.649 . . . . 10.0 112.751 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -94.76 4.73 53.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.297 1.439 . . . . 10.0 113.745 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 m -125.17 4.67 7.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.939 1.696 . . . . 10.0 112.895 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.0 ttt -56.44 -37.58 70.45 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.108 1.151 . . . . 10.0 114.108 -169.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -65.96 -44.15 85.83 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.184 0.902 . . . . 10.0 111.429 177.509 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.64 -40.41 96.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.543 0.737 . . . . 10.0 111.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.9 -38.76 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.441 1.096 . . . . 10.0 111.337 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.9 -39.68 90.83 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.21 -0.931 . . . . 10.0 112.397 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.0 m -67.49 -36.19 80.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.998 0.919 . . . . 10.0 113.155 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 10.0 110.341 173.61 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 121.082 0.468 . . . . 10.0 110.677 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -32.33 73.32 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.356 -0.84 . . . . 10.0 112.017 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.1 -42.75 84.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.608 1.563 . . . . 10.0 111.777 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.02 -42.27 93.98 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.62 0.768 . . . . 10.0 111.494 172.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -72.4 -38.35 68.45 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.382 0.882 . . . . 10.0 113.382 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.22 -33.36 75.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.952 0.901 . . . . 10.0 111.759 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.49 -39.01 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.53 0.732 . . . . 10.0 111.584 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.77 83.97 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.669 -0.644 . . . . 10.0 110.853 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.82 -25.66 66.55 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.739 1.616 . . . . 10.0 112.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.29 -36.98 33.64 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.889 1.222 . . . . 10.0 114.266 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -63.87 -33.34 75.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.831 1.196 . . . . 10.0 108.767 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tp -70.9 -36.2 72.62 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.315 1.046 . . . . 10.0 111.923 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 m -63.45 -38.18 90.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 119.528 -1.983 . . . . 10.0 111.058 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.61 -32.99 73.14 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.172 0.989 . . . . 10.0 112.974 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -150.88 90.89 4.1 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.441 1.497 . . . . 10.0 112.154 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -48.78 -24.15 6.62 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 124.773 3.649 . . . . 10.0 118.38 -169.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -130.49 27.91 4.97 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.74 124.98 78.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 105.832 -1.914 . . . . 10.0 105.832 167.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 -25.3 24.28 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.62 1.547 . . . . 10.0 115.545 -168.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -77.74 -41.8 36.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.08 1.309 . . . . 10.0 110.808 170.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.35 74.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.472 1.033 . . . . 10.0 111.881 170.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -35.27 38.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.001 0.92 . . . . 10.0 111.107 -177.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.44 98.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.809 0.844 . . . . 10.0 111.026 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.48 -53.67 39.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.567 1.547 . . . . 10.0 110.58 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -54.27 -44.9 72.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.064 -0.969 . . . . 10.0 112.854 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.93 -39.73 93.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.397 1.453 . . . . 10.0 112.688 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -66.66 -47.7 71.7 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.494 1.118 . . . . 10.0 112.085 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.5 mt -69.01 -36.06 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.839 0.855 . . . . 10.0 110.256 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -68.54 -33.32 73.9 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.502 -0.749 . . . . 10.0 112.374 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -58.7 -49.03 79.08 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.501 0.72 . . . . 10.0 110.607 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.31 -44.29 95.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.82 -48.56 80.89 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.866 1.266 . . . . 10.0 112.191 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.536 0.433 0 C-N-CA 123.307 0.643 . . . . 10.0 111.584 -174.226 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -91.66 -38.64 12.31 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.831 0.853 . . . . 10.0 112.836 173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -22.24 63.8 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -30.81 32.63 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -67.15 -26.2 66.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.51 -31.22 69.34 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.583 -0.698 . . . . 10.0 112.035 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.7 mm -71.14 -40.1 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.208 1.003 . . . . 10.0 110.927 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.34 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.737 0.815 . . . . 10.0 112.819 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -61.26 -17.61 54.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 174.581 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.63 0.729 . . . . 10.0 110.787 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -35.88 81.0 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.524 -0.735 . . . . 10.0 111.619 172.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -68.5 -38.59 81.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.166 0.986 . . . . 10.0 112.724 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.0 -41.11 91.38 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.892 0.877 . . . . 10.0 111.261 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -70.53 -38.52 74.23 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.29 -33.39 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.749 0.704 . . . . 10.0 112.409 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.68 -43.67 95.97 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.502 -0.749 . . . . 10.0 110.833 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.72 87.2 Favored 'General case' 0 C--N 1.34 0.163 0 O-C-N 122.084 -0.385 . . . . 10.0 111.259 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -67.4 -27.31 66.98 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.245 1.418 . . . . 10.0 112.596 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.39 34.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.405 1.261 . . . . 10.0 114.405 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -63.45 -34.71 78.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.644 1.111 . . . . 10.0 108.877 169.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.79 -34.69 69.61 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 124.932 1.293 . . . . 10.0 112.099 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -63.87 -38.72 92.12 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 119.427 -2.046 . . . . 10.0 111.006 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.22 -32.02 71.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.824 0.85 . . . . 10.0 112.975 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -151.46 90.34 4.02 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.457 1.503 . . . . 10.0 112.261 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -49.33 -24.28 8.29 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.677 3.584 . . . . 10.0 118.11 -169.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -130.16 29.33 4.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 116.126 1.898 . . . . 10.0 116.126 171.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 124.61 80.5 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 167.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.21 -27.42 29.1 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.811 1.674 . . . . 10.0 115.573 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.7 m -77.8 -41.11 38.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.732 1.151 . . . . 10.0 110.985 171.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.46 75.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.421 1.01 . . . . 10.0 111.88 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -35.74 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.039 0.936 . . . . 10.0 111.088 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.95 97.96 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.871 0.868 . . . . 10.0 110.924 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.59 -53.86 35.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.365 1.466 . . . . 10.0 110.921 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.0 -44.87 71.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.974 0.91 . . . . 10.0 112.74 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -64.76 -41.03 96.19 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.131 1.332 . . . . 10.0 112.681 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -66.52 -45.24 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.412 1.085 . . . . 10.0 112.245 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.44 -36.07 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.741 0.816 . . . . 10.0 110.077 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.13 -34.44 76.36 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.946 0.794 . . . . 10.0 112.831 176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -57.88 -45.73 85.94 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 10.0 111.128 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.47 -42.83 74.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.71 0.804 . . . . 10.0 113.106 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -57.96 -47.22 83.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.32 1.448 . . . . 10.0 112.109 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.424 0.689 . . . . 10.0 111.432 -179.012 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -56.83 -15.89 5.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.917 1.287 . . . . 10.0 114.389 170.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -118.01 11.43 13.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.115 1.766 . . . . 10.0 112.965 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.9 tpp -54.46 -36.38 64.02 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.863 -1.148 . . . . 10.0 113.243 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.0 -27.92 68.49 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.35 -35.51 71.19 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.958 0.799 . . . . 10.0 111.679 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.47 -40.33 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.979 0.912 . . . . 10.0 111.211 172.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.98 -35.39 78.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.653 1.181 . . . . 10.0 112.771 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 m -63.63 -17.32 62.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 124.96 1.304 . . . . 10.0 114.186 174.409 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 121.426 0.631 . . . . 10.0 110.378 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -64.92 -35.49 81.34 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.599 -0.688 . . . . 10.0 112.353 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.66 -38.14 73.77 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.844 1.258 . . . . 10.0 112.547 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.78 -42.16 88.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.79 0.723 . . . . 10.0 111.194 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.77 -37.88 70.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.166 0.987 . . . . 10.0 113.183 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.89 -34.96 79.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.97 0.908 . . . . 10.0 111.615 171.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.36 -39.61 89.24 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.609 -0.682 . . . . 10.0 111.809 170.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.17 85.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.512 0.596 . . . . 10.0 111.114 169.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -65.79 -25.12 67.1 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.362 1.465 . . . . 10.0 112.07 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -36.59 34.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.903 1.229 . . . . 10.0 114.039 169.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.13 -35.8 79.84 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.647 1.112 . . . . 10.0 108.582 169.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.28 -36.21 74.24 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 125.184 1.393 . . . . 10.0 112.435 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.29 -37.94 89.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 119.558 -1.964 . . . . 10.0 110.927 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.61 -31.78 71.87 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.68 90.11 3.99 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.54 1.536 . . . . 10.0 112.04 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -48.52 -24.77 6.82 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 124.829 3.686 . . . . 10.0 118.456 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -129.8 27.9 5.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.184 1.92 . . . . 10.0 116.184 171.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.1 124.72 78.7 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 167.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.37 -24.53 26.79 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.76 1.64 . . . . 10.0 115.493 -168.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -80.35 -39.77 27.92 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.904 1.229 . . . . 10.0 110.85 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.05 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 119.471 1.032 . . . . 10.0 111.539 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -35.17 44.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.035 0.934 . . . . 10.0 110.824 -178.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.4 98.56 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.597 0.759 . . . . 10.0 111.013 169.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.09 -54.13 34.69 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 125.446 1.498 . . . . 10.0 110.83 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.75 -45.35 74.16 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.918 -1.039 . . . . 10.0 112.67 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -65.25 -37.69 88.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.639 1.563 . . . . 10.0 112.743 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -68.31 -48.63 64.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.604 1.162 . . . . 10.0 112.19 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.32 -35.48 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.624 0.77 . . . . 10.0 109.825 176.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.1 ttm -69.46 -34.67 74.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.915 0.78 . . . . 10.0 112.998 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.9 m -61.6 -44.31 97.23 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.794 0.838 . . . . 10.0 110.941 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.23 -45.01 82.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.251 0.62 . . . . 10.0 112.665 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -56.78 -51.39 69.1 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.966 1.306 . . . . 10.0 111.826 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 122.858 0.463 . . . . 10.0 111.38 -172.124 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -51.92 -33.7 38.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.597 1.559 . . . . 10.0 112.831 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.309 1.044 . . . . 10.0 113.228 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 mmt -96.28 -38.7 9.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.723 1.209 . . . . 10.0 112.311 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.97 -31.97 73.2 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.322 -0.861 . . . . 10.0 113.215 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.82 -27.85 65.48 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.959 0.904 . . . . 10.0 113.169 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.83 -54.08 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.209 1.004 . . . . 10.0 109.864 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.68 -39.67 94.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -171.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.4 m -69.09 -3.48 13.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.663 1.357 . . . . 10.0 114.663 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 169.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.469 0.652 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -66.78 -40.04 88.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.192 0.597 . . . . 10.0 111.752 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.27 -42.06 99.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.035 0.934 . . . . 10.0 111.949 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.77 -41.24 95.11 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.117 0.967 . . . . 10.0 112.077 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -73.18 -39.3 65.72 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -67.71 -34.55 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.418 0.554 . . . . 10.0 111.815 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -37.33 85.16 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.29 -0.881 . . . . 10.0 112.058 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.99 83.4 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.585 -0.697 . . . . 10.0 110.506 170.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.95 -26.52 67.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.516 1.527 . . . . 10.0 112.609 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -36.96 34.95 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.15 -33.78 76.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.041 1.291 . . . . 10.0 108.713 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.25 -35.85 74.09 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 124.212 1.005 . . . . 10.0 111.833 169.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -64.12 -38.72 92.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 119.39 -2.069 . . . . 10.0 111.036 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -61.82 -31.73 71.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.159 0.984 . . . . 10.0 112.908 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -151.36 90.09 4.09 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.573 1.549 . . . . 10.0 112.215 170.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -49.22 -24.09 7.67 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.573 3.515 . . . . 10.0 118.445 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -130.14 27.89 5.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 116.167 1.914 . . . . 10.0 116.167 171.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.58 124.54 76.25 Favored Pre-proline 0 N--CA 1.468 0.449 0 N-CA-C 105.94 -1.874 . . . . 10.0 105.94 167.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 -27.42 25.48 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.598 1.532 . . . . 10.0 115.65 -168.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.33 -40.96 42.28 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.11 1.323 . . . . 10.0 110.788 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.6 75.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 119.442 1.019 . . . . 10.0 111.76 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 -36.54 41.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.935 0.894 . . . . 10.0 111.112 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.031 0.933 . . . . 10.0 111.246 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -66.08 -53.52 37.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.45 1.5 . . . . 10.0 110.928 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.29 -44.84 72.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 118.248 -0.882 . . . . 10.0 112.777 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -64.18 -41.01 97.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.181 1.355 . . . . 10.0 112.714 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 ttp -66.34 -46.2 77.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.172 0.989 . . . . 10.0 112.41 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.52 -35.7 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.793 0.837 . . . . 10.0 110.009 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttm -69.14 -35.22 76.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.928 0.785 . . . . 10.0 112.868 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -58.71 -40.73 84.55 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.075 0.95 . . . . 10.0 111.464 170.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.45 -45.18 63.3 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.584 0.753 . . . . 10.0 112.666 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.25 -46.67 79.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.874 1.27 . . . . 10.0 112.653 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 122.994 0.518 . . . . 10.0 111.705 -177.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -51.35 -21.91 2.54 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.539 1.536 . . . . 10.0 114.949 170.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.0 m -124.04 -35.69 2.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 10.0 112.766 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.14 -23.28 66.48 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.304 -0.872 . . . . 10.0 113.125 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -53.7 -31.68 48.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.85 1.056 . . . . 10.0 113.85 170.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 -29.79 68.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.536 1.134 . . . . 10.0 112.528 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mm -85.17 -42.59 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.157 1.383 . . . . 10.0 110.602 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.81 -40.93 70.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.145 1.378 . . . . 10.0 112.611 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.8 m -59.82 -8.05 1.96 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.002 1.721 . . . . 10.0 114.915 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 126.2 1.8 . . . . 10.0 113.325 -178.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 120.94 0.4 . . . . 10.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.5 -38.62 87.98 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.531 -0.731 . . . . 10.0 111.546 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.44 -37.19 80.03 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.692 0.678 . . . . 10.0 112.808 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.47 -43.05 93.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.773 0.715 . . . . 10.0 111.198 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -70.49 -37.44 74.2 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -66.63 -34.71 78.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.737 0.815 . . . . 10.0 111.54 172.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.8 -39.35 93.45 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.431 -0.793 . . . . 10.0 111.664 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.01 88.34 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.688 -0.632 . . . . 10.0 111.617 170.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.42 -25.95 68.24 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.465 1.906 . . . . 10.0 111.964 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -37.24 34.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 169.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.79 -35.91 81.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.171 1.35 . . . . 10.0 108.455 168.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.03 -36.77 78.12 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.145 0.978 . . . . 10.0 112.223 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 m -63.68 -37.95 89.28 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 119.418 -2.051 . . . . 10.0 111.144 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.98 -33.62 73.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.477 1.111 . . . . 10.0 112.886 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -152.25 92.0 3.56 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 125.462 1.505 . . . . 10.0 111.866 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -48.63 -24.16 6.32 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.896 3.731 . . . . 10.0 118.357 -169.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.8 p -130.75 27.61 4.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 116.233 1.938 . . . . 10.0 116.233 171.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.15 127.03 85.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 106.241 -1.763 . . . . 10.0 106.241 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.53 -27.88 18.3 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 N-CA-C 115.636 1.36 . . . . 10.0 115.636 -168.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -73.67 -42.47 61.28 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.264 1.393 . . . . 10.0 110.639 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.6 79.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.475 1.034 . . . . 10.0 111.986 172.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -35.64 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.845 0.858 . . . . 10.0 110.933 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.01 97.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.085 0.954 . . . . 10.0 111.032 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.78 -53.51 39.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.523 1.529 . . . . 10.0 110.918 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -54.59 -44.56 73.15 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.144 -0.932 . . . . 10.0 112.668 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -65.01 -40.46 94.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.329 1.422 . . . . 10.0 112.684 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -66.3 -45.99 78.47 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.633 1.173 . . . . 10.0 112.357 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.0 -35.81 65.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 123.86 0.864 . . . . 10.0 110.186 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.8 ttm -68.01 -33.78 75.24 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.463 -0.773 . . . . 10.0 112.859 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -58.96 -42.53 90.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.978 0.911 . . . . 10.0 111.397 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.59 -43.51 72.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.903 . . . . 10.0 112.83 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -61.91 -43.29 99.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.102 1.361 . . . . 10.0 113.311 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 111.676 -176.536 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -61.1 -39.22 89.15 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.019 0.928 . . . . 10.0 112.27 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.1 m -66.73 -41.26 88.18 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.413 0.685 . . . . 10.0 112.627 170.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.1 ttt -62.78 -31.22 72.15 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.293 -0.879 . . . . 10.0 113.0 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.9 -28.65 67.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.22 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.532 -0.73 . . . . 10.0 112.785 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -75.12 -46.4 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.341 1.056 . . . . 10.0 109.929 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.18 -29.22 67.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.773 1.229 . . . . 10.0 113.466 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -56.14 -22.4 28.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.226 1.41 . . . . 10.0 114.018 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.334 . . . . 10.0 114.603 177.259 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.077 0.465 . . . . 10.0 111.106 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.0 -35.82 79.67 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.339 -0.851 . . . . 10.0 112.192 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -69.32 -38.48 78.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.046 0.938 . . . . 10.0 112.326 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.497 0.719 . . . . 10.0 111.949 170.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -71.04 -37.15 72.55 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.846 0.859 . . . . 10.0 113.137 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -65.18 -36.55 84.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.604 0.762 . . . . 10.0 111.703 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.53 -38.3 90.53 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.54 -0.725 . . . . 10.0 111.817 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.56 90.18 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.782 -0.574 . . . . 10.0 111.56 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.4 -23.43 66.31 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.155 1.382 . . . . 10.0 112.264 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -37.41 32.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.946 1.248 . . . . 10.0 113.977 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -62.52 -36.16 81.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.106 1.321 . . . . 10.0 108.348 168.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.92 -35.79 77.23 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.635 0.774 . . . . 10.0 112.305 169.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 m -64.94 -38.43 90.95 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 119.429 -2.044 . . . . 10.0 111.047 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.52 -33.69 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.539 1.136 . . . . 10.0 112.668 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.76 92.63 3.6 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.324 1.45 . . . . 10.0 112.305 169.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.45 -24.06 8.39 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 124.681 3.587 . . . . 10.0 118.156 -169.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.5 p -130.41 27.97 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 116.2 1.926 . . . . 10.0 116.2 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 126.61 85.6 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 106.277 -1.749 . . . . 10.0 106.277 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.66 -29.93 18.84 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 121.315 1.343 . . . . 10.0 115.582 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.14 -42.62 65.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.346 1.43 . . . . 10.0 110.886 170.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.76 78.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 119.5 1.045 . . . . 10.0 111.968 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -35.15 39.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.925 0.89 . . . . 10.0 111.125 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.38 98.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.301 1.041 . . . . 10.0 110.933 169.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -65.69 -53.57 39.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.373 1.469 . . . . 10.0 110.843 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.02 -44.98 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.061 -0.971 . . . . 10.0 112.772 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -64.57 -40.58 95.81 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.304 1.411 . . . . 10.0 112.686 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.2 ttp -65.23 -49.71 68.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.258 1.023 . . . . 10.0 111.918 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.37 -33.95 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.003 0.921 . . . . 10.0 110.163 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.7 ttm -70.17 -38.64 75.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.116 0.871 . . . . 10.0 112.992 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 t -57.27 -44.3 83.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.319 1.048 . . . . 10.0 110.908 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.09 -49.68 66.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 171.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -53.87 -48.58 69.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.453 1.501 . . . . 10.0 112.713 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 122.602 0.361 . . . . 10.0 111.878 -171.579 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 112.716 0.636 . . . . 10.0 112.716 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.52 -18.01 63.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.528 1.131 . . . . 10.0 113.826 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 m -136.75 20.1 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.403 1.481 . . . . 10.0 113.277 -169.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 ptp -55.45 -34.28 64.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -169.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -37.61 64.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.101 0.864 . . . . 10.0 112.13 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.87 -38.48 88.91 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.492 -0.755 . . . . 10.0 111.577 173.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.39 -48.78 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.081 0.952 . . . . 10.0 110.895 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.39 -34.62 69.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 10.0 112.975 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 m -69.88 -8.72 50.99 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.478 0.962 0 C-N-CA 125.449 1.5 . . . . 10.0 113.995 -170.129 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 119.222 -0.418 . . . . 10.0 111.411 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -15.17 63.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -175.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -59.21 154.51 40.66 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 125.346 1.458 . . . . 10.0 113.646 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.56 152.96 25.09 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 123.469 2.779 . . . . 10.0 112.847 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.8 155.69 68.91 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.033 2.489 . . . . 10.0 112.379 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p -140.41 157.95 67.33 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.186 1.395 . . . . 10.0 112.017 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.27 141.44 59.74 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 124.671 3.58 . . . . 10.0 114.087 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 tp -144.85 14.22 1.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.797 1.239 . . . . 10.0 112.946 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.55 -20.94 66.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.538 1.535 . . . . 10.0 114.741 -171.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.43 28.75 1.81 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.33 1.452 . . . . 10.0 112.713 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.78 -33.22 68.3 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.612 1.338 . . . . 10.0 114.612 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -158.32 136.85 11.05 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.888 1.675 . . . . 10.0 110.253 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -159.65 -40.9 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.123 0.969 . . . . 10.0 112.551 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -126.17 -8.97 6.47 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -58.61 -22.66 56.99 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.17 -32.95 29.62 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.94 1.257 . . . . 10.0 114.235 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.09 -26.65 50.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.153 1.781 . . . . 10.0 114.27 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.53 -20.82 6.44 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.704 1.202 . . . . 10.0 113.827 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -66.86 -34.56 78.07 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.243 -0.911 . . . . 10.0 111.059 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.83 49.9 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.219 1.866 . . . . 10.0 115.339 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -107.56 -35.44 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.296 1.439 . . . . 10.0 112.632 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.28 92.06 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.477 1.037 . . . . 10.0 113.593 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -55.44 -26.28 41.13 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.084 1.354 . . . . 10.0 114.605 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -8.58 59.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -104.85 19.96 19.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.893 1.277 . . . . 10.0 110.297 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -144.09 18.16 1.76 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.355 2.262 . . . . 10.0 111.845 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -52.19 -26.4 11.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 117.224 2.305 . . . . 10.0 117.224 -169.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.6 -3.49 90.49 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 123.999 0.809 . . . . 10.0 114.804 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.93 -13.54 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.888 1.675 . . . . 10.0 112.451 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -43.95 -35.32 1.98 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.998 1.719 . . . . 10.0 113.143 172.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -52.93 -53.18 53.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.834 2.053 . . . . 10.0 115.27 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.55 39.7 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.884 1.274 . . . . 10.0 111.007 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -62.08 -38.87 90.47 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.536 -0.728 . . . . 10.0 111.877 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.75 -43.74 95.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.95 1.3 . . . . 10.0 111.729 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.26 -39.85 88.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.165 0.586 . . . . 10.0 112.21 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.13 -38.89 66.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.705 0.802 . . . . 10.0 113.038 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -65.91 -34.57 78.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.604 0.638 . . . . 10.0 111.404 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.72 -38.42 90.92 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.46 -0.775 . . . . 10.0 111.924 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.92 88.08 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.395 -0.816 . . . . 10.0 111.164 169.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.18 -25.03 67.55 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.72 1.608 . . . . 10.0 112.463 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -37.6 32.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -63.31 -32.98 74.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.757 1.162 . . . . 10.0 108.581 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.64 -38.45 73.86 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 124.635 1.174 . . . . 10.0 111.984 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -61.77 -37.6 84.89 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 119.812 -1.805 . . . . 10.0 111.182 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.23 -31.53 71.31 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.71 86.8 4.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.567 1.547 . . . . 10.0 111.576 172.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -45.42 -27.64 3.43 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.769 3.646 . . . . 10.0 119.231 -169.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -127.65 29.67 5.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.509 1.67 . . . . 10.0 115.509 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.18 124.1 78.84 Favored Pre-proline 0 N--CA 1.47 0.551 0 N-CA-C 105.252 -2.129 . . . . 10.0 105.252 167.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.25 -26.32 25.41 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.572 1.515 . . . . 10.0 115.664 -168.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.59 -40.88 40.69 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.042 1.292 . . . . 10.0 110.8 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.9 77.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.541 1.064 . . . . 10.0 111.803 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -35.17 40.88 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 123.905 0.882 . . . . 10.0 110.927 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.37 98.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.842 0.857 . . . . 10.0 111.003 169.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.14 -53.6 42.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.553 1.541 . . . . 10.0 110.859 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -55.38 -45.31 76.59 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.027 -0.987 . . . . 10.0 112.637 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -65.97 -37.23 85.44 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 120.481 1.491 . . . . 10.0 112.863 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.8 ttp -68.2 -49.0 63.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.459 1.104 . . . . 10.0 112.27 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.23 -34.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.559 0.744 . . . . 10.0 109.699 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.9 ttm -68.53 -35.3 77.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.86 0.754 . . . . 10.0 112.963 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -60.53 -42.77 97.17 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.645 0.778 . . . . 10.0 111.159 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.05 -42.15 73.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.289 0.848 . . . . 10.0 113.289 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.12 -52.62 63.68 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.548 1.539 . . . . 10.0 111.3 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -69.12 -39.7 78.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.507 0.323 . . . . 10.0 111.406 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.43 -46.7 82.05 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.052 0.941 . . . . 10.0 112.269 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.24 -38.57 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.969 -0.457 . . . . 10.0 112.125 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -63.04 -40.94 99.23 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.45 -0.781 . . . . 10.0 112.503 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.25 -39.17 91.98 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.062 0.846 . . . . 10.0 113.2 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.16 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -65.23 -43.07 92.62 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.338 1.055 . . . . 10.0 111.696 172.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -61.44 -38.56 87.6 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.121 -0.987 . . . . 10.0 112.504 171.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.4 m -64.33 -37.64 88.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.584 0.754 . . . . 10.0 112.34 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.15 87.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.343 0.657 . . . . 10.0 112.269 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.54 -41.53 90.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.119 1.368 . . . . 10.0 111.716 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.64 -18.87 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.353 1.461 . . . . 10.0 113.785 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -117.95 7.1 12.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.723 1.609 . . . . 10.0 113.39 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -31.32 65.01 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.77 -31.67 72.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.476 1.11 . . . . 10.0 113.223 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.32 -42.61 18.54 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.338 1.055 . . . . 10.0 111.307 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.35 -32.15 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.574 1.149 . . . . 10.0 111.926 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -61.41 -14.69 30.07 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.473 1.286 . . . . 10.0 114.473 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -126.41 -20.22 4.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.96 1.704 . . . . 10.0 113.452 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.1 m -134.33 49.14 2.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.353 2.261 . . . . 10.0 110.648 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.7 tp -46.8 124.59 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.79 2.036 . . . . 10.0 113.3 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.6 tp -154.5 118.8 4.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.542 1.537 . . . . 10.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -61.74 133.88 56.07 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.545 0.738 . . . . 10.0 111.882 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -90.47 -3.8 57.39 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.46 128.51 37.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.313 1.045 . . . . 10.0 111.288 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -156.9 175.23 14.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.403 1.081 . . . . 10.0 112.744 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -136.24 -50.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.455 1.502 . . . . 10.0 110.24 170.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -71.19 141.56 50.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.784 0.834 . . . . 10.0 109.641 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.742 1.217 . . . . 10.0 111.678 -174.436 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.411 -0.218 . . . . 10.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -153.27 170.38 20.74 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.458 1.503 . . . . 10.0 111.96 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -147.57 156.96 45.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.955 1.302 . . . . 10.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.27 160.83 38.84 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 123.263 2.642 . . . . 10.0 111.703 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 151.69 52.97 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.336 2.69 . . . . 10.0 112.696 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p -135.58 156.93 77.28 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 125.011 1.324 . . . . 10.0 112.176 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.85 156.35 23.85 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.359 3.373 . . . . 10.0 114.063 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.83 -3.91 3.22 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.79 63.94 7.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.132 1.373 . . . . 10.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.24 149.67 23.62 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.424 1.09 . . . . 10.0 112.556 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -156.24 177.02 11.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.821 1.648 . . . . 10.0 110.173 -174.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -61.15 13.44 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.613 1.965 . . . . 10.0 116.085 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -27.36 49.94 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.073 1.749 . . . . 10.0 113.448 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -61.93 -14.94 39.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 115.035 1.495 . . . . 10.0 115.035 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 m -71.96 -6.02 39.04 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.92 1.452 . . . . 10.0 114.92 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.82 -34.36 0.06 OUTLIER Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.41 1.324 . . . . 10.0 116.41 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.39 -33.21 74.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.346 1.073 . . . . 10.0 112.176 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -83.57 105.05 14.19 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.208 1.403 . . . . 10.0 108.251 169.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -165.46 -164.42 0.75 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.394 1.878 . . . . 10.0 109.129 -173.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.41 -37.79 3.64 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.516 1.532 . . . . 10.0 115.151 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.7 -49.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.193 1.797 . . . . 10.0 112.308 170.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.91 -12.95 65.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.823 1.678 . . . . 10.0 115.791 -172.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 7.54 6.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.76 1.624 . . . . 10.0 114.687 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.21 -44.02 0.38 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -80.44 -35.46 35.0 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.14 0.427 . . . . 10.0 110.91 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -42.6 -46.98 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.885 2.074 . . . . 10.0 114.171 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.05 -21.94 65.33 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.802 1.241 . . . . 10.0 113.63 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 -14.19 56.39 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.284 1.421 . . . . 10.0 114.436 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.79 -15.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.006 1.403 . . . . 10.0 112.751 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -57.32 -19.97 25.66 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.823 -1.173 . . . . 10.0 112.474 169.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.2 -34.49 60.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.247 1.819 . . . . 10.0 113.055 169.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -42.11 99.18 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.188 1.395 . . . . 10.0 111.334 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -37.02 83.74 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.472 -0.767 . . . . 10.0 111.71 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.79 -42.04 86.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.487 1.115 . . . . 10.0 111.968 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.39 -40.21 85.84 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.672 0.789 . . . . 10.0 111.816 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.7 tp -71.26 -41.64 69.82 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.36 -32.53 74.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.359 0.527 . . . . 10.0 111.695 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.83 -40.35 83.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.387 -0.821 . . . . 10.0 112.124 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.74 85.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.67 0.668 . . . . 10.0 111.01 171.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -29.0 70.11 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 125.819 1.648 . . . . 10.0 111.977 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.13 -34.11 38.03 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 120.028 1.286 . . . . 10.0 114.416 169.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.36 -35.04 77.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.938 1.245 . . . . 10.0 108.167 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.83 -36.02 72.71 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 125.469 1.507 . . . . 10.0 112.737 169.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -63.17 -38.05 89.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 119.503 -1.998 . . . . 10.0 110.801 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.88 -32.9 72.33 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -151.53 90.63 3.96 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.465 1.506 . . . . 10.0 111.932 170.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -48.6 -25.86 8.41 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 124.774 3.649 . . . . 10.0 118.088 -169.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 p -129.24 29.26 5.16 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.032 1.864 . . . . 10.0 116.032 171.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.17 124.8 82.04 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 105.541 -2.022 . . . . 10.0 105.541 167.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.71 -26.4 27.85 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.711 1.607 . . . . 10.0 115.546 -168.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 m -78.67 -40.19 34.67 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.987 1.267 . . . . 10.0 110.988 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.01 79.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.498 1.044 . . . . 10.0 111.622 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -35.66 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.925 0.89 . . . . 10.0 110.945 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.94 97.11 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 10.0 111.21 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.14 -54.52 28.5 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.301 1.44 . . . . 10.0 110.794 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -53.83 -44.22 70.08 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.182 -0.913 . . . . 10.0 112.874 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -65.19 -39.7 93.2 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.356 1.435 . . . . 10.0 112.735 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.97 -46.21 75.34 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.466 1.106 . . . . 10.0 112.342 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.56 -36.07 64.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.93 0.892 . . . . 10.0 109.886 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -69.91 -32.72 71.18 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.409 -0.807 . . . . 10.0 112.814 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -59.65 -35.95 75.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.971 0.908 . . . . 10.0 111.826 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.72 -41.81 36.53 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.023 0.929 . . . . 10.0 112.699 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -64.23 -43.45 94.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.892 1.277 . . . . 10.0 113.45 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.22 -36.95 84.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.469 0.707 . . . . 10.0 111.259 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.16 -46.14 88.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.528 1.131 . . . . 10.0 111.727 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.74 -31.64 72.95 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.372 0.879 . . . . 10.0 113.372 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.33 -35.12 67.25 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.068 1.304 . . . . 10.0 113.102 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -61.57 -38.12 86.36 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.54 1.136 . . . . 10.0 113.347 172.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.98 -38.06 37.77 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.268 0.627 . . . . 10.0 112.54 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -59.99 -34.97 74.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.956 1.303 . . . . 10.0 112.121 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -54.74 -41.61 70.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.288 1.035 . . . . 10.0 112.846 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 t -68.34 -48.29 65.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.648 0.779 . . . . 10.0 111.36 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -29.41 70.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.89 -36.55 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.839 1.256 . . . . 10.0 111.413 171.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.84 -27.71 60.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.036 0.934 . . . . 10.0 112.82 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -58.77 -31.42 68.36 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.027 0.931 . . . . 10.0 113.381 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.7 tpt -60.91 -26.05 67.18 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -28.55 69.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.892 0.877 . . . . 10.0 113.078 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.65 -38.69 58.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.522 0.729 . . . . 10.0 112.08 171.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.04 -36.26 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.524 1.129 . . . . 10.0 111.786 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.15 -21.81 35.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.644 1.178 . . . . 10.0 113.808 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -58.38 -21.22 49.44 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.349 1.06 . . . . 10.0 113.613 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.6 p -68.9 -20.0 64.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.778 1.399 . . . . 10.0 114.778 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 139.56 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.159 0.984 . . . . 10.0 109.393 176.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.72 37.76 0.18 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.94 1.696 . . . . 10.0 113.665 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.93 1.58 12.44 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.413 -1.429 . . . . 10.0 114.568 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -60.41 167.44 2.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.924 1.69 . . . . 10.0 113.926 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -68.44 23.75 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.409 2.284 . . . . 10.0 115.832 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -71.03 7.59 1.16 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.598 1.559 . . . . 10.0 112.659 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -137.3 142.67 41.9 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.895 2.478 . . . . 10.0 109.249 -170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -136.49 165.04 26.75 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.809 1.244 . . . . 10.0 111.826 -172.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.075 1.75 . . . . 10.0 111.793 -174.186 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 ttm . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -71.04 -37.32 72.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.364 1.066 . . . . 10.0 113.45 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.31 157.23 31.03 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.108 1.763 . . . . 10.0 111.0 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.21 165.23 32.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.838 2.359 . . . . 10.0 111.909 173.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.59 157.18 1.54 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.654 3.569 . . . . 10.0 115.232 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.1 p -138.02 159.74 67.24 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 125.705 1.602 . . . . 10.0 112.009 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.18 153.69 20.74 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.955 3.77 . . . . 10.0 114.55 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.3 mt -139.99 161.92 36.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.459 1.504 . . . . 10.0 112.194 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -98.16 21.21 11.17 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.784 2.034 . . . . 10.0 113.69 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 176.28 0.36 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.025 1.73 . . . . 10.0 114.072 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -49.23 -39.44 30.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.466 1.506 . . . . 10.0 114.895 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -67.83 -6.82 23.35 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -121.11 -38.24 2.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.079 1.752 . . . . 10.0 111.472 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -57.32 -30.09 64.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.145 1.378 . . . . 10.0 113.207 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.8 p -54.88 -23.47 18.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.94 1.296 . . . . 10.0 114.357 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.62 6.67 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.146 1.831 . . . . 10.0 115.343 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -54.08 -21.7 9.11 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.238 1.815 . . . . 10.0 114.361 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.02 -41.24 1.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.065 1.746 . . . . 10.0 111.863 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -54.16 -19.74 5.57 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.956 1.702 . . . . 10.0 114.556 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.3 -33.76 16.66 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.612 1.101 . . . . 10.0 114.519 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.04 -28.4 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.031 0.932 . . . . 10.0 113.222 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.33 -35.68 11.83 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.026 1.298 . . . . 10.0 112.878 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -55.4 -21.84 17.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.362 1.065 . . . . 10.0 113.386 173.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.88 58.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -90.34 -18.62 25.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.772 1.169 . . . . 10.0 111.684 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.98 2.93 1.76 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.229 1.812 . . . . 10.0 113.945 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.38 -27.77 25.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.5 1.52 . . . . 10.0 114.868 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.58 -13.9 66.34 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 124.842 1.21 . . . . 10.0 115.303 172.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.04 -13.45 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.862 2.065 . . . . 10.0 112.224 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.91 -24.0 5.73 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.167 1.387 . . . . 10.0 112.788 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.01 -39.91 69.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.304 1.842 . . . . 10.0 114.179 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -36.66 35.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.48 1.512 . . . . 10.0 110.509 175.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -62.05 -36.08 80.56 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.547 -0.72 . . . . 10.0 111.916 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -64.04 -41.97 97.21 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.379 1.472 . . . . 10.0 111.934 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.98 -41.07 95.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 10.0 111.747 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.5 tp -72.35 -37.47 68.83 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.49 -33.16 74.54 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.516 0.727 . . . . 10.0 111.91 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.98 -42.63 97.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.919 0.782 . . . . 10.0 110.522 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.22 85.65 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 122.103 -0.373 . . . . 10.0 111.398 172.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.63 -25.89 65.96 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.99 1.316 . . . . 10.0 112.501 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.57 34.84 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 169.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.7 -33.5 75.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.497 1.044 . . . . 10.0 108.511 169.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.73 -36.12 70.37 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 125.058 1.343 . . . . 10.0 111.875 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -62.97 -38.23 90.29 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 119.512 -1.993 . . . . 10.0 111.032 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.31 -32.24 72.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.742 0.817 . . . . 10.0 113.156 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -151.23 89.89 4.16 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.474 1.51 . . . . 10.0 111.984 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -48.79 -24.37 6.9 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.693 3.595 . . . . 10.0 118.379 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -129.96 28.2 5.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 116.109 1.892 . . . . 10.0 116.109 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.3 70.08 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 105.434 -2.061 . . . . 10.0 105.434 167.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.54 -26.53 28.52 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 121.674 1.582 . . . . 10.0 115.17 -168.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -40.9 41.25 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.857 1.208 . . . . 10.0 110.917 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.75 79.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 119.653 1.115 . . . . 10.0 111.875 170.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -36.01 40.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.021 0.928 . . . . 10.0 110.791 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.67 97.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.788 0.835 . . . . 10.0 110.791 169.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.23 -53.92 37.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.512 1.525 . . . . 10.0 111.041 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.94 -44.32 78.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.892 -1.051 . . . . 10.0 112.491 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.03 -39.81 93.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.645 1.566 . . . . 10.0 112.835 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.53 -46.78 71.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.824 1.25 . . . . 10.0 112.296 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.64 -35.36 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.87 0.868 . . . . 10.0 110.059 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 38.1 ttm -69.15 -33.84 74.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 118.805 0.729 . . . . 10.0 112.761 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -58.57 -47.46 84.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.548 0.739 . . . . 10.0 110.603 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.24 -42.85 92.96 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.75 -49.35 78.07 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.505 1.122 . . . . 10.0 111.911 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -68.69 -38.31 80.21 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.115 0.566 . . . . 10.0 111.29 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.32 -48.77 79.8 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.436 1.094 . . . . 10.0 111.134 172.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -65.75 -36.75 84.45 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.97 -44.56 87.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.207 1.003 . . . . 10.0 111.938 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -64.86 -39.36 93.43 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.59 71.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -63.97 -43.55 95.43 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.93 0.892 . . . . 10.0 111.649 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.8 m -64.05 -38.13 89.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.209 0.604 . . . . 10.0 112.07 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.6 m -66.79 -40.88 88.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.29 0.636 . . . . 10.0 112.398 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.65 -35.93 79.35 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.106 -0.996 . . . . 10.0 112.382 174.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.08 -48.87 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.088 1.355 . . . . 10.0 111.61 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -68.04 -32.32 72.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.486 1.039 . . . . 10.0 113.365 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -107.4 11.49 28.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.32 . . . . 10.0 113.525 -171.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -52.49 -34.78 50.93 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.204 1.365 . . . . 10.0 113.911 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -59.91 -12.46 7.78 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.041 2.136 . . . . 10.0 115.487 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.08 17.08 6.15 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.53 2.332 . . . . 10.0 111.583 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.71 -41.7 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.554 1.942 . . . . 10.0 109.667 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.59 -24.81 64.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.241 -0.912 . . . . 10.0 112.7 171.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -80.33 -9.82 59.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.236 1.814 . . . . 10.0 114.934 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -140.78 -8.71 1.06 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.5 tp -53.76 141.52 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 125.285 1.434 . . . . 10.0 111.906 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -62.29 162.31 10.05 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.97 22.61 14.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.952 1.301 . . . . 10.0 112.694 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -145.66 170.14 17.06 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.915 1.686 . . . . 10.0 111.423 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -110.88 37.49 2.78 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.388 1.475 . . . . 10.0 112.334 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.28 -32.51 72.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.834 1.253 . . . . 10.0 113.903 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -85.67 149.74 25.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.263 1.025 . . . . 10.0 112.507 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.7 161.23 38.62 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.985 1.714 . . . . 10.0 110.833 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 126.66 1.984 . . . . 10.0 110.942 179.008 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.161 0.029 . . . . 10.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 p -76.35 -30.63 57.69 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -74.32 154.66 88.09 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.679 1.192 . . . . 10.0 113.863 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.97 156.93 21.94 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.868 3.045 . . . . 10.0 112.388 168.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.05 -21.78 7.78 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.935 2.423 . . . . 10.0 115.774 -169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 p -75.9 150.82 83.99 Favored Pre-proline 0 N--CA 1.479 0.985 0 CA-C-N 119.719 1.145 . . . . 10.0 113.249 -173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.78 -38.48 91.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.29 3.327 . . . . 10.0 114.347 -176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.8 -21.08 62.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.74 1.616 . . . . 10.0 113.514 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.7 mt -125.11 11.73 8.24 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.449 1.9 . . . . 10.0 112.44 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 16.22 2.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.307 1.843 . . . . 10.0 112.681 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.99 -18.79 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.597 1.703 . . . . 10.0 115.597 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -58.59 -31.25 67.86 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.361 -0.837 . . . . 10.0 113.153 170.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -71.98 -26.2 62.15 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.108 0.963 . . . . 10.0 112.624 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -62.79 -25.16 68.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.126 -0.984 . . . . 10.0 113.201 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -56.03 -29.59 60.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.347 1.059 . . . . 10.0 113.67 170.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.58 57.94 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.754 0.693 . . . . 10.0 112.616 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -66.35 -39.2 89.04 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.752 0.821 . . . . 10.0 112.387 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.28 -39.49 93.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.399 1.079 . . . . 10.0 112.406 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -65.04 -40.1 94.29 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.75 -0.594 . . . . 10.0 111.586 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.78 48.72 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.816 1.198 . . . . 10.0 113.844 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.0 tt -71.08 -21.04 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.953 0.877 . . . . 10.0 112.546 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.51 -41.86 33.97 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.609 1.576 . . . . 10.0 114.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -71.16 -23.68 62.11 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.534 1.167 . . . . 10.0 114.022 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.27 27.78 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.524 0.73 . . . . 10.0 112.12 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.19 -36.08 79.01 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -47.7 -42.42 24.94 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.241 2.216 . . . . 10.0 113.258 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.42 -7.1 17.19 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.139 1.162 . . . . 10.0 114.139 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.59 -1.24 27.61 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 126.788 2.137 . . . . 10.0 114.456 171.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -121.65 -0.19 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.151 1.475 . . . . 10.0 114.447 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -53.8 -26.96 26.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.419 1.087 . . . . 10.0 111.883 168.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.96 -37.57 66.66 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.215 2.206 . . . . 10.0 114.113 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -43.0 96.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.291 1.036 . . . . 10.0 110.922 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.05 -37.21 81.81 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.673 -0.642 . . . . 10.0 111.7 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.36 -37.54 77.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.76 . . . . 10.0 112.899 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.48 -41.41 94.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.859 0.864 . . . . 10.0 111.475 170.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -69.96 -37.95 75.97 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -64.58 -35.55 81.36 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.52 0.6 . . . . 10.0 111.803 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.26 -38.22 87.33 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.412 -0.805 . . . . 10.0 111.985 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.8 88.49 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.346 -0.846 . . . . 10.0 111.125 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.02 -25.68 67.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 125.466 1.506 . . . . 10.0 112.364 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -37.22 34.08 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 169.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -62.86 -34.46 77.42 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.8 1.182 . . . . 10.0 108.579 168.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.75 -35.66 72.75 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 124.699 1.199 . . . . 10.0 112.241 169.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -64.29 -38.28 90.48 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 119.38 -2.075 . . . . 10.0 110.999 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -32.93 72.58 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.877 0.871 . . . . 10.0 113.015 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -150.86 90.28 4.21 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.513 1.525 . . . . 10.0 112.308 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -48.94 -24.18 6.96 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 124.742 3.628 . . . . 10.0 118.33 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.7 p -130.17 27.89 5.06 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 116.221 1.934 . . . . 10.0 116.221 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.69 124.9 78.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 106.006 -1.85 . . . . 10.0 106.006 167.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.87 -27.83 25.44 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 121.515 1.477 . . . . 10.0 115.537 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -75.2 -42.46 55.61 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.141 1.337 . . . . 10.0 110.975 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 119.555 1.071 . . . . 10.0 111.793 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -36.39 40.59 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.885 0.874 . . . . 10.0 110.869 -177.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.53 96.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.067 0.947 . . . . 10.0 111.165 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.77 -53.78 35.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.606 1.562 . . . . 10.0 110.893 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.39 -44.99 72.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.11 -0.948 . . . . 10.0 112.678 171.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -64.93 -39.31 93.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.274 1.397 . . . . 10.0 112.739 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 67.2 ttp -68.08 -46.06 72.08 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.548 1.139 . . . . 10.0 112.65 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.24 -35.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 123.922 0.889 . . . . 10.0 109.796 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.7 ttm -68.28 -34.89 76.99 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.457 -0.777 . . . . 10.0 113.054 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.7 m -61.15 -33.76 73.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.18 0.992 . . . . 10.0 112.089 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.16 -42.37 31.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.635 0.774 . . . . 10.0 112.679 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.36 -47.43 81.65 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.451 1.5 . . . . 10.0 112.39 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.68 -30.45 70.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.06 -47.47 84.56 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.542 1.137 . . . . 10.0 112.212 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -79.28 -24.36 42.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.781 1.233 . . . . 10.0 112.518 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.9 tpt85 -61.8 -34.79 76.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.42 -34.79 78.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.136 0.974 . . . . 10.0 113.097 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.13 50.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.045 0.538 . . . . 10.0 112.334 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -57.27 -33.92 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.369 1.468 . . . . 10.0 113.015 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.6 m -52.94 -32.61 46.71 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -62.54 -40.11 95.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.941 0.896 . . . . 10.0 112.621 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -38.54 26.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.838 0.855 . . . . 10.0 112.714 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.95 -36.99 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.169 1.388 . . . . 10.0 112.189 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -54.51 -41.42 69.62 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.025 1.284 . . . . 10.0 112.671 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 m -72.97 -9.53 58.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.015 1.326 . . . . 10.0 114.561 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 tpt -112.47 -39.2 4.44 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.906 1.282 . . . . 10.0 112.312 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.01 -33.78 69.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.986 1.314 . . . . 10.0 112.621 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.29 -24.26 58.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.722 1.209 . . . . 10.0 113.887 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mm -98.99 -45.15 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.29 1.436 . . . . 10.0 110.805 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.13 -27.77 67.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.041 1.337 . . . . 10.0 113.548 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.2 t -51.64 -26.88 9.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.432 1.493 . . . . 10.0 113.828 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -63.36 -16.51 60.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.994 1.317 . . . . 10.0 114.141 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.7 -12.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.165 1.386 . . . . 10.0 113.249 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 65.24 0.81 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.612 1.565 . . . . 10.0 111.339 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -150.48 168.02 25.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.633 1.973 . . . . 10.0 111.335 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -149.51 174.42 12.52 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.559 1.144 . . . . 10.0 111.774 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -144.1 147.69 34.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.723 1.609 . . . . 10.0 110.673 -175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.42 137.13 46.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.872 0.869 . . . . 10.0 112.613 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -143.55 167.7 21.62 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.756 1.622 . . . . 10.0 111.355 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.95 156.09 42.29 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.0 1.32 . . . . 10.0 112.27 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.855 1.662 . . . . 10.0 111.307 -179.143 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.412 0.149 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -71.47 -6.1 37.89 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.65 1.352 . . . . 10.0 114.65 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -146.36 161.38 38.96 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.139 2.176 . . . . 10.0 110.854 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.15 160.99 47.68 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.439 2.092 . . . . 10.0 111.48 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.43 -19.24 37.96 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.252 2.634 . . . . 10.0 113.68 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.6 p -67.53 156.96 87.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 124.352 1.061 . . . . 10.0 113.391 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.35 -29.32 83.76 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 124.528 3.485 . . . . 10.0 114.407 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 tp -154.95 161.77 41.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.746 2.018 . . . . 10.0 109.809 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.52 14.35 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.441 1.896 . . . . 10.0 114.594 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -21.88 12.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.402 1.481 . . . . 10.0 114.112 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.02 -15.54 33.29 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.698 1.599 . . . . 10.0 114.243 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -134.7 -22.72 1.64 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 10.0 114.258 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -54.23 -28.31 40.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.125 1.37 . . . . 10.0 114.687 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -53.02 -30.17 33.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.904 1.282 . . . . 10.0 113.707 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -66.14 -10.37 40.37 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.849 1.66 . . . . 10.0 113.77 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.71 -43.12 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.228 1.394 . . . . 10.0 112.5 170.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -59.68 -54.28 48.25 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.097 0.948 . . . . 10.0 113.184 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.69 -30.06 68.64 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.843 -0.536 . . . . 10.0 112.105 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.12 -39.6 95.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.842 0.857 . . . . 10.0 111.665 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -45.22 96.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.606 1.098 . . . . 10.0 113.13 173.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.0 -44.56 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.578 0.751 . . . . 10.0 111.336 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.47 -47.09 92.84 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.801 1.191 . . . . 10.0 113.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -57.75 -32.45 67.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.016 1.326 . . . . 10.0 113.15 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.12 -11.33 60.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -87.05 8.3 24.07 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.463 0.705 . . . . 10.0 112.851 169.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -139.73 -43.61 0.44 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.618 . . . . 10.0 113.45 -169.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.61 -32.7 65.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.01 1.324 . . . . 10.0 113.484 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 -6.74 62.21 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.232 1.396 . . . . 10.0 115.423 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -19.84 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 118.864 1.332 . . . . 10.0 113.989 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -56.84 -21.64 30.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.383 1.073 . . . . 10.0 111.564 168.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.7 -40.75 29.46 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.964 1.706 . . . . 10.0 113.774 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -43.43 95.22 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.707 0.803 . . . . 10.0 110.72 178.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -65.48 -33.96 77.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.36 -0.838 . . . . 10.0 112.295 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.13 -39.33 89.79 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.842 0.857 . . . . 10.0 112.505 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.5 -40.7 87.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.916 0.886 . . . . 10.0 111.355 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.33 -38.05 71.7 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.66 0.784 . . . . 10.0 112.879 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.94 -32.93 74.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.547 0.612 . . . . 10.0 112.188 170.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.98 -36.97 83.37 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.206 -0.934 . . . . 10.0 111.837 169.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -47.13 87.46 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.332 -0.855 . . . . 10.0 110.811 169.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.92 -24.97 67.69 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.436 1.494 . . . . 10.0 112.31 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.39 -37.33 32.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -63.6 -33.55 75.86 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.723 1.147 . . . . 10.0 108.607 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.8 -37.36 73.26 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 124.729 1.212 . . . . 10.0 112.005 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -62.81 -38.0 88.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.779 -1.826 . . . . 10.0 111.032 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -59.87 -34.07 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.24 86.49 4.78 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.315 1.446 . . . . 10.0 111.59 174.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -47.06 -23.52 2.77 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.89 3.727 . . . . 10.0 119.439 -169.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -130.07 31.05 4.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 124.4 82.0 Favored Pre-proline 0 N--CA 1.47 0.538 0 N-CA-C 105.445 -2.057 . . . . 10.0 105.445 167.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.98 -25.46 27.55 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.695 1.597 . . . . 10.0 115.363 -168.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 m -78.72 -41.07 31.9 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.883 1.22 . . . . 10.0 110.858 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.7 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.465 1.03 . . . . 10.0 111.765 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -35.15 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.213 1.005 . . . . 10.0 110.806 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.43 98.46 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.873 0.869 . . . . 10.0 110.79 169.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.68 -53.5 40.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.624 1.57 . . . . 10.0 110.949 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.39 -46.01 73.01 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.909 -1.043 . . . . 10.0 112.442 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -64.61 -39.79 94.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.527 1.512 . . . . 10.0 112.693 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.87 -47.3 75.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.694 1.198 . . . . 10.0 112.575 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.8 mt -69.08 -35.52 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.738 0.815 . . . . 10.0 109.748 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.0 ttm -68.39 -33.95 75.17 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -59.72 -45.66 91.48 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.861 0.755 . . . . 10.0 110.93 169.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.5 -44.81 89.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.29 0.636 . . . . 10.0 112.564 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.6 -48.2 82.82 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.42 1.088 . . . . 10.0 112.534 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -70.68 -38.72 73.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.477 0.711 . . . . 10.0 110.903 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.952 0.901 . . . . 10.0 112.185 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.55 -49.03 78.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.569 0.622 . . . . 10.0 112.101 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -45.48 84.49 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.532 1.133 . . . . 10.0 112.741 174.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.65 -49.69 75.52 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.559 1.144 . . . . 10.0 112.42 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.31 81.65 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.06 -39.13 81.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.386 1.074 . . . . 10.0 112.21 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 m -74.48 -47.5 32.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.407 0.683 . . . . 10.0 111.888 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -61.95 -44.14 97.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.704 1.202 . . . . 10.0 112.647 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.19 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.55 -50.57 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.455 1.502 . . . . 10.0 110.538 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.94 -22.86 67.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.1 1.36 . . . . 10.0 114.31 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -118.52 11.95 13.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.938 1.695 . . . . 10.0 113.014 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.18 -38.37 57.59 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.383 1.073 . . . . 10.0 113.606 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.35 -23.24 66.94 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.027 1.331 . . . . 10.0 114.078 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -87.84 -41.29 13.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.562 1.145 . . . . 10.0 111.459 172.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -34.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.029 0.932 . . . . 10.0 111.848 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.84 -16.82 19.06 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.3 1.44 . . . . 10.0 114.814 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.5 m -125.49 -8.39 6.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.811 1.644 . . . . 10.0 113.836 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m -138.82 43.12 2.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 10.0 111.159 -173.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.6 tp -60.02 -21.39 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 126.352 1.861 . . . . 10.0 114.837 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.39 154.67 27.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.121 1.368 . . . . 10.0 113.261 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -131.92 6.25 4.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.795 1.238 . . . . 10.0 113.572 -173.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -138.19 169.26 18.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 10.0 112.967 -169.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -146.86 165.33 30.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.11 1.764 . . . . 10.0 110.816 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -58.66 158.35 8.01 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.936 1.294 . . . . 10.0 112.888 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -62.84 -23.91 67.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.581 1.326 . . . . 10.0 114.581 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -145.63 172.88 12.62 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.383 1.473 . . . . 10.0 111.532 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.338 0 C-N-CA 125.607 1.563 . . . . 10.0 113.145 -172.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.333 0.111 . . . . 10.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -138.06 -9.34 1.54 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.062 1.345 . . . . 10.0 114.388 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.91 152.3 25.15 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.008 1.723 . . . . 10.0 110.782 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.45 137.16 48.46 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.099 3.2 . . . . 10.0 114.442 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 160.92 6.37 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.867 3.045 . . . . 10.0 114.179 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -137.7 158.04 72.43 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 125.095 1.358 . . . . 10.0 112.191 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.78 152.14 23.57 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.725 3.617 . . . . 10.0 114.796 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.5 13.98 11.03 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 10.0 113.172 -173.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.77 12.98 6.35 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.975 1.71 . . . . 10.0 114.135 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.31 -20.48 3.0 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.247 1.419 . . . . 10.0 113.721 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.77 -19.7 61.31 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.31 1.044 . . . . 10.0 113.102 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -148.44 149.56 31.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.036 1.734 . . . . 10.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.11 -169.14 3.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.123 1.769 . . . . 10.0 111.27 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -66.09 28.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.794 2.438 . . . . 10.0 117.186 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -52.1 -33.25 38.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.755 1.622 . . . . 10.0 115.275 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.68 -52.18 36.06 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.014 0.816 . . . . 10.0 112.611 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -66.04 -33.98 77.04 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.058 0.929 . . . . 10.0 112.941 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.42 -22.82 55.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.651 1.18 . . . . 10.0 112.964 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -95.54 -43.94 7.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.408 1.083 . . . . 10.0 111.249 169.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.75 -32.62 58.94 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.283 1.897 . . . . 10.0 115.256 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.76 -24.62 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 125.031 1.332 . . . . 10.0 113.428 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.53 61.14 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.751 1.167 . . . . 10.0 114.066 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.42 37.06 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 10.0 112.54 173.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.97 67.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.7 -26.51 68.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.599 1.09 . . . . 10.0 113.936 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.25 -18.19 61.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.5 1.12 . . . . 10.0 113.45 172.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -98.06 -37.97 9.54 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.108 -0.995 . . . . 10.0 111.702 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 37.37 0.1 OUTLIER Glycine 0 CA--C 1.539 1.571 0 C-N-CA 130.407 3.86 . . . . 10.0 116.183 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -146.62 -47.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 128.781 2.832 . . . . 10.0 109.598 -171.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -73.28 -41.92 63.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.045 1.338 . . . . 10.0 108.305 168.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.55 -36.15 73.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.683 2.393 . . . . 10.0 113.617 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -43.76 95.05 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.002 1.321 . . . . 10.0 111.072 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.14 -24.39 67.87 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.82 -57.86 5.57 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.898 1.279 . . . . 10.0 110.625 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -68.24 -19.9 64.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.796 1.638 . . . . 10.0 112.812 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -57.77 -34.92 70.08 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.95 1.25 . . . . 10.0 112.795 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.2 -24.4 66.3 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 173.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -94.59 -44.94 7.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.658 1.183 . . . . 10.0 112.218 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -62.69 -31.92 72.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.228 1.411 . . . . 10.0 113.232 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -58.77 -25.17 62.8 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -60.18 -28.55 68.05 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.636 1.174 . . . . 10.0 113.047 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.62 -31.51 15.85 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.679 1.192 . . . . 10.0 113.226 173.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.02 -32.32 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.81 1.244 . . . . 10.0 111.752 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m -96.11 -0.68 49.91 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 tt -145.18 -11.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -170.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -62.71 -7.9 5.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.507 2.41 . . . . 10.0 117.507 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.53 136.83 58.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.58 1.152 . . . . 10.0 113.126 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -59.96 125.66 24.51 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.8 0.84 . . . . 10.0 111.447 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -17.42 48.86 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -176.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -69.11 158.8 34.14 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.384 1.073 . . . . 10.0 113.01 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -140.81 8.25 2.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.848 1.259 . . . . 10.0 114.223 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -151.53 154.07 35.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.498 1.519 . . . . 10.0 110.716 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.694 1.598 . . . . 10.0 111.922 -173.137 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.333 0.111 . . . . 10.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -138.06 -9.34 1.54 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.062 1.345 . . . . 10.0 114.388 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.91 152.3 25.15 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.008 1.723 . . . . 10.0 110.782 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.45 137.16 48.46 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.099 3.2 . . . . 10.0 114.442 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 160.92 6.37 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.867 3.045 . . . . 10.0 114.179 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -137.7 158.04 72.43 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 125.095 1.358 . . . . 10.0 112.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.78 152.14 23.57 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.725 3.617 . . . . 10.0 114.796 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.5 13.98 11.03 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 10.0 113.172 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.77 12.98 6.35 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.975 1.71 . . . . 10.0 114.135 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.31 -20.48 3.0 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.247 1.419 . . . . 10.0 113.721 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.77 -19.7 61.31 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.31 1.044 . . . . 10.0 113.102 171.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -148.44 149.56 31.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.036 1.734 . . . . 10.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.11 -169.14 3.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.123 1.769 . . . . 10.0 111.27 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -66.09 28.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.794 2.438 . . . . 10.0 117.186 -169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -52.1 -33.25 38.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.755 1.622 . . . . 10.0 115.275 -175.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.68 -52.18 36.06 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.014 0.816 . . . . 10.0 112.611 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -66.04 -33.98 77.04 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.058 0.929 . . . . 10.0 112.941 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.42 -22.82 55.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.651 1.18 . . . . 10.0 112.964 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -95.54 -43.94 7.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.408 1.083 . . . . 10.0 111.249 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.75 -32.62 58.94 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.283 1.897 . . . . 10.0 115.256 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.76 -24.62 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 125.031 1.332 . . . . 10.0 113.428 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.53 61.14 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.751 1.167 . . . . 10.0 114.066 169.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.42 37.06 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 10.0 112.54 173.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.97 67.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.7 -26.51 68.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.599 1.09 . . . . 10.0 113.936 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.25 -18.19 61.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.5 1.12 . . . . 10.0 113.45 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -98.06 -37.97 9.54 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.108 -0.995 . . . . 10.0 111.702 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 37.37 0.1 OUTLIER Glycine 0 CA--C 1.539 1.571 0 C-N-CA 130.407 3.86 . . . . 10.0 116.183 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -146.62 -47.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 128.781 2.832 . . . . 10.0 109.598 -171.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -73.28 -41.92 63.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.045 1.338 . . . . 10.0 108.305 168.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.55 -36.15 73.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.683 2.393 . . . . 10.0 113.617 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -43.76 95.05 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.002 1.321 . . . . 10.0 111.072 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.415 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.14 -24.39 67.87 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.82 -57.86 5.57 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.898 1.279 . . . . 10.0 110.625 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -68.24 -19.9 64.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.796 1.638 . . . . 10.0 112.812 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -57.77 -34.92 70.08 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.95 1.25 . . . . 10.0 112.795 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.2 -24.4 66.3 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -94.59 -44.94 7.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.658 1.183 . . . . 10.0 112.218 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -62.69 -31.92 72.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.228 1.411 . . . . 10.0 113.232 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -58.77 -25.17 62.8 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -60.18 -28.55 68.05 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.636 1.174 . . . . 10.0 113.047 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.62 -31.51 15.85 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.679 1.192 . . . . 10.0 113.226 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.02 -32.32 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.81 1.244 . . . . 10.0 111.752 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m -96.11 -0.68 49.91 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 tt -145.18 -11.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -170.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -62.71 -7.9 5.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.507 2.41 . . . . 10.0 117.507 -175.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.53 136.83 58.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.58 1.152 . . . . 10.0 113.126 -175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -59.96 125.66 24.51 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.8 0.84 . . . . 10.0 111.447 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -17.42 48.86 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -69.11 158.8 34.14 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.384 1.073 . . . . 10.0 113.01 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -140.81 8.25 2.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.848 1.259 . . . . 10.0 114.223 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -151.53 154.07 35.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.498 1.519 . . . . 10.0 110.716 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.694 1.598 . . . . 10.0 111.922 -173.137 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.431 0.158 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -71.1 -26.48 63.06 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.784 1.402 . . . . 10.0 114.784 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -157.46 159.58 30.74 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.571 1.549 . . . . 10.0 111.656 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.79 162.08 38.16 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 123.027 2.485 . . . . 10.0 111.613 170.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.27 172.94 15.04 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.58 2.853 . . . . 10.0 112.671 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.3 p -134.29 156.63 78.82 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 125.768 1.627 . . . . 10.0 110.999 172.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -50.51 -35.99 47.71 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.689 3.593 . . . . 10.0 115.672 -173.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.74 -24.61 15.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.044 1.337 . . . . 10.0 113.771 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.39 -34.65 75.71 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.05 -0.976 . . . . 10.0 113.557 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.25 -6.28 0.16 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 117.404 2.372 . . . . 10.0 117.404 -169.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.73 -21.01 54.07 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 121.061 1.755 . . . . 10.0 115.186 -172.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -75.47 -0.38 19.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.175 1.79 . . . . 10.0 114.903 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.14 -21.73 5.37 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.607 2.077 . . . . 10.0 116.607 -171.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -63.35 -23.92 67.62 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.055 1.342 . . . . 10.0 113.803 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 t -57.11 109.92 0.74 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.163 1.385 . . . . 10.0 111.659 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.72 -29.55 2.11 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.752 1.168 . . . . 10.0 114.36 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -60.86 -26.75 67.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.799 1.239 . . . . 10.0 113.673 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 tp -144.54 142.18 30.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.725 2.81 . . . . 10.0 107.182 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -148.68 29.52 0.84 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.323 1.049 . . . . 10.0 111.862 -169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.33 39.75 93.1 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 120.836 -1.165 . . . . 10.0 112.058 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.325 19.5 tt 0.01 71.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 130.536 3.534 . . . . 10.0 116.299 -168.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.83 -37.17 0.17 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 127.04 2.257 . . . . 10.0 111.435 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 -58.97 -12.27 4.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.805 1.642 . . . . 10.0 112.824 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.35 65.27 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.18 4.62 14.3 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.191 0.905 . . . . 10.0 112.797 169.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -133.15 17.47 4.1 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.076 2.95 . . . . 10.0 110.145 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -55.76 -30.5 61.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.802 1.641 . . . . 10.0 114.618 -171.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.65 -12.81 59.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.607 1.098 . . . . 10.0 114.758 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.93 -11.09 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.041 1.736 . . . . 10.0 112.591 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -49.25 -34.28 14.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.411 1.484 . . . . 10.0 111.831 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.65 -48.62 66.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.616 1.966 . . . . 10.0 114.552 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -34.44 42.06 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.576 1.55 . . . . 10.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.17 -38.03 89.56 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.661 -0.649 . . . . 10.0 111.599 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.01 -41.64 90.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.743 1.217 . . . . 10.0 112.313 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.0 -41.3 96.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.639 0.776 . . . . 10.0 112.054 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.43 -36.97 68.7 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.28 1.032 . . . . 10.0 113.047 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.23 -34.01 77.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.294 0.638 . . . . 10.0 111.616 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.25 -36.57 81.89 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.405 -0.809 . . . . 10.0 111.761 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.38 89.91 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.53 -0.732 . . . . 10.0 110.657 169.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.25 -24.67 66.63 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.385 1.474 . . . . 10.0 112.39 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -38.18 32.38 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.947 1.249 . . . . 10.0 113.803 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.85 -32.47 73.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.89 1.223 . . . . 10.0 109.107 169.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.61 -36.63 68.12 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.54 1.136 . . . . 10.0 111.867 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -63.14 -37.91 89.11 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 119.373 -2.079 . . . . 10.0 111.091 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -61.28 -32.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.513 1.125 . . . . 10.0 112.598 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -152.39 91.22 3.62 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.859 1.664 . . . . 10.0 112.049 169.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -48.69 -24.28 6.59 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 124.73 3.62 . . . . 10.0 118.35 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -130.15 27.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.73 124.55 76.74 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 105.55 -2.019 . . . . 10.0 105.55 167.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.16 -27.08 25.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 121.548 1.499 . . . . 10.0 115.229 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 m -76.49 -40.77 49.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.816 1.189 . . . . 10.0 110.961 170.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.49 80.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 119.498 1.044 . . . . 10.0 111.885 170.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -35.33 44.05 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.919 0.888 . . . . 10.0 110.779 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.67 98.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.022 0.929 . . . . 10.0 110.963 169.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -64.92 -54.09 36.19 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.458 1.503 . . . . 10.0 110.986 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -55.33 -44.41 75.85 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.8 171.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -66.54 -37.96 86.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.282 1.401 . . . . 10.0 112.783 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.0 ttp -66.21 -48.61 70.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.533 1.133 . . . . 10.0 112.289 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.21 -36.69 76.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 123.663 0.785 . . . . 10.0 109.819 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.6 -34.72 76.28 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.025 0.829 . . . . 10.0 113.074 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -59.89 -47.99 83.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.897 0.879 . . . . 10.0 110.669 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.66 -43.81 92.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.73 -47.98 83.48 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.687 1.195 . . . . 10.0 112.529 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.91 -37.89 87.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.068 0.547 . . . . 10.0 110.617 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.37 -39.13 93.27 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.559 1.144 . . . . 10.0 112.749 174.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.911 0.778 . . . . 10.0 112.3 173.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.73 -44.02 97.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.301 1.041 . . . . 10.0 112.341 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.56 -45.26 94.89 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.1 0.96 . . . . 10.0 112.59 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.15 75.05 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.98 -31.34 64.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.167 0.987 . . . . 10.0 113.414 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -97.73 -37.08 10.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.567 1.147 . . . . 10.0 112.41 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -62.29 -36.59 82.59 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.285 1.034 . . . . 10.0 112.645 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.04 99.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.413 -0.805 . . . . 10.0 112.923 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.36 -42.25 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.496 1.519 . . . . 10.0 111.11 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.76 -51.65 68.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.576 0.75 . . . . 10.0 111.037 169.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -59.54 -38.06 80.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.271 1.028 . . . . 10.0 113.311 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 ttt -57.1 -46.28 82.72 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.854 0.752 . . . . 10.0 111.964 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.65 -37.4 65.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.474 1.109 . . . . 10.0 112.485 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.8 -46.81 83.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.585 1.154 . . . . 10.0 112.021 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.81 -36.36 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.243 1.017 . . . . 10.0 111.868 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.26 -32.6 74.26 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.464 -0.773 . . . . 10.0 112.702 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t -86.4 -36.04 19.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.022 1.329 . . . . 10.0 113.448 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.9 m -141.41 70.56 1.34 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.66 1.984 . . . . 10.0 110.687 -170.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -27.11 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.826 1.65 . . . . 10.0 114.561 -175.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.8 tp -138.55 153.33 48.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.86 1.664 . . . . 10.0 110.774 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -136.89 175.3 9.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.864 1.665 . . . . 10.0 111.457 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 151.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.065 1.346 . . . . 10.0 114.144 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -88.59 14.75 9.24 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.073 1.349 . . . . 10.0 114.617 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -57.06 149.24 19.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.803 1.241 . . . . 10.0 114.08 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -66.65 157.98 31.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.909 1.284 . . . . 10.0 112.732 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.71 146.27 29.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.285 1.434 . . . . 10.0 111.433 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.235 1.814 . . . . 10.0 112.206 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 110.517 -0.179 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -137.68 28.0 2.71 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.271 1.428 . . . . 10.0 111.876 -173.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -146.97 160.46 40.24 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 126.093 1.757 . . . . 10.0 112.247 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.86 163.32 39.24 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 123.144 2.563 . . . . 10.0 111.84 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -71.21 166.99 27.47 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.374 2.716 . . . . 10.0 112.52 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.9 p -138.28 156.48 73.63 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.044 1.337 . . . . 10.0 112.078 175.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -86.08 14.27 2.5 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.631 3.554 . . . . 10.0 113.43 -174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 67.38 0.99 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.547 1.939 . . . . 10.0 111.554 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp -144.56 -2.39 0.86 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.168 1.787 . . . . 10.0 112.957 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -13.25 60.93 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.144 1.535 . . . . 10.0 115.144 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.84 -14.96 17.39 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.843 1.794 . . . . 10.0 115.843 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -124.62 -21.68 4.78 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.599 1.16 . . . . 10.0 113.438 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -34.59 74.64 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.147 -0.971 . . . . 10.0 112.113 172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -58.58 -17.47 22.02 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.804 1.242 . . . . 10.0 114.173 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 m -126.22 18.58 7.66 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.486 1.914 . . . . 10.0 112.497 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.85 -37.27 0.04 OUTLIER Glycine 0 N--CA 1.471 1.02 0 N-CA-C 115.817 1.087 . . . . 10.0 115.817 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -61.32 -29.77 70.09 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.278 1.539 . . . . 10.0 113.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.3 -14.3 7.05 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.707 1.373 . . . . 10.0 114.707 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -115.34 -36.06 4.44 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.01 1.724 . . . . 10.0 111.329 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -40.68 36.81 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 126.202 1.858 . . . . 10.0 113.987 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.8 tt -58.53 -16.31 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 N-CA-C 114.298 1.222 . . . . 10.0 114.298 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.91 28.02 5.0 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.668 2.08 . . . . 10.0 113.873 173.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -145.78 -20.59 0.46 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.266 1.826 . . . . 10.0 113.711 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.01 -24.12 15.77 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.811 1.645 . . . . 10.0 115.293 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -66.22 -24.52 66.62 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.47 -22.51 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.562 1.545 . . . . 10.0 112.958 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.2 -24.71 60.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.367 1.067 . . . . 10.0 113.491 174.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.77 -0.65 89.16 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.828 1.204 . . . . 10.0 114.665 172.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -128.87 -10.7 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.492 1.517 . . . . 10.0 113.291 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -52.83 -26.86 15.88 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.024 -1.047 . . . . 10.0 112.342 169.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.51 -42.98 79.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.321 1.448 . . . . 10.0 114.461 170.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.68 -38.23 54.81 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.154 1.382 . . . . 10.0 110.379 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.53 -37.58 87.84 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.499 -0.75 . . . . 10.0 112.09 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -40.68 97.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 10.0 112.22 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.96 -40.37 95.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.012 0.525 . . . . 10.0 111.814 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -73.72 -37.86 65.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.14 -33.2 75.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.857 0.753 . . . . 10.0 112.132 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.75 -38.08 88.12 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.277 -0.889 . . . . 10.0 111.751 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.24 -47.57 85.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.624 -0.673 . . . . 10.0 110.963 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.87 -25.69 66.53 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 125.67 1.588 . . . . 10.0 112.602 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.58 34.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.145 1.339 . . . . 10.0 114.529 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.66 -29.71 70.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.006 1.276 . . . . 10.0 108.669 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tp -74.48 -37.18 63.26 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.97 0.908 . . . . 10.0 111.806 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 m -63.05 -35.88 81.7 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.357 -2.09 . . . . 10.0 110.936 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -35.31 74.01 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.139 1.776 . . . . 10.0 112.429 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -154.34 93.81 2.86 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.756 1.622 . . . . 10.0 111.328 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -48.52 -24.61 6.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.425 3.417 . . . . 10.0 118.213 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.1 p -129.97 28.68 5.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 121.51 56.3 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.376 -2.083 . . . . 10.0 105.376 167.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.93 -26.85 31.2 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 121.717 1.612 . . . . 10.0 114.857 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.1 m -75.9 -42.32 49.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.79 1.177 . . . . 10.0 110.736 170.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.27 76.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.641 1.11 . . . . 10.0 112.131 171.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -35.26 37.91 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 110.908 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.47 99.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.02 0.928 . . . . 10.0 110.885 169.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -65.26 -52.97 51.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.485 1.514 . . . . 10.0 110.877 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -54.47 -45.46 73.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.791 170.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.28 -38.57 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.292 1.406 . . . . 10.0 112.478 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.62 -48.99 67.74 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.309 1.044 . . . . 10.0 112.343 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.45 -34.92 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 10.0 110.035 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.8 ttm -70.0 -33.78 72.48 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 121.56 -0.712 . . . . 10.0 112.413 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 m -60.33 -46.58 89.41 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.408 0.683 . . . . 10.0 110.56 169.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.14 -43.39 92.03 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -59.09 -49.11 79.13 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.74 1.216 . . . . 10.0 111.897 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.31 -39.83 74.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.011 0.525 . . . . 10.0 111.161 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.78 -44.04 97.66 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.424 1.09 . . . . 10.0 112.06 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.83 -49.3 78.03 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.383 0.538 . . . . 10.0 111.483 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -57.49 -46.35 83.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.689 0.796 . . . . 10.0 112.388 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.25 -45.44 93.28 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.205 1.002 . . . . 10.0 112.887 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.2 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -64.68 -41.85 95.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.203 1.001 . . . . 10.0 111.633 174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.8 m -63.47 -41.51 98.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.595 -0.691 . . . . 10.0 112.523 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 t -64.94 -44.97 87.71 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.178 0.991 . . . . 10.0 112.063 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.04 73.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.09 0.956 . . . . 10.0 113.492 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.36 -20.81 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.359 1.064 . . . . 10.0 113.531 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -113.17 -8.07 13.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.296 1.438 . . . . 10.0 114.006 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -140.74 19.55 2.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.541 1.537 . . . . 10.0 113.484 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 tpt -48.66 -48.74 39.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.113 1.365 . . . . 10.0 114.344 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.49 -28.44 66.06 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.54 -44.69 64.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.307 0.643 . . . . 10.0 111.135 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.01 -47.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.238 0.615 . . . . 10.0 110.523 175.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.24 -15.72 17.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.672 1.189 . . . . 10.0 114.136 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.0 m -106.8 -10.5 16.05 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.44 1.496 . . . . 10.0 114.354 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m -142.5 -1.94 1.12 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.305 1.965 . . . . 10.0 116.305 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.1 tt -54.11 143.53 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.535 1.134 . . . . 10.0 112.885 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -149.62 166.27 29.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.771 1.628 . . . . 10.0 112.602 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -131.32 1.14 4.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.851 1.261 . . . . 10.0 113.56 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -135.32 152.23 51.27 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.535 1.934 . . . . 10.0 109.986 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -144.12 153.04 41.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.373 1.069 . . . . 10.0 111.825 -170.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -64.56 -35.86 82.34 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.87 0.868 . . . . 10.0 112.831 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -155.75 159.23 39.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.979 1.712 . . . . 10.0 110.351 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -147.58 -3.86 0.53 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -170.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 119.803 1.183 . . . . 10.0 113.014 -176.843 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -64.43 -21.63 66.71 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -149.13 158.84 38.26 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.406 1.882 . . . . 10.0 110.647 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.9 160.63 42.93 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.517 2.145 . . . . 10.0 111.899 172.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.2 -37.42 87.74 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.288 3.325 . . . . 10.0 116.252 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 155.43 81.23 Favored Pre-proline 0 N--CA 1.47 0.573 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -169.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.05 -37.47 92.75 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 124.455 3.437 . . . . 10.0 113.811 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.95 -36.12 76.41 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.562 1.145 . . . . 10.0 112.941 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.89 -5.48 12.67 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.153 1.381 . . . . 10.0 114.128 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.92 8.04 5.64 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.046 1.738 . . . . 10.0 113.063 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.12 -12.3 61.14 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.607 1.163 . . . . 10.0 113.543 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -146.82 163.04 37.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.522 1.929 . . . . 10.0 111.612 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -154.0 -41.59 0.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.268 1.027 . . . . 10.0 112.495 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -134.28 -5.01 2.66 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.263 1.425 . . . . 10.0 114.194 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -56.2 -26.31 50.48 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.57 -33.2 33.08 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.72 1.152 . . . . 10.0 114.823 171.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.58 -37.66 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.401 1.08 . . . . 10.0 112.649 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -70.47 -31.62 68.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.479 1.112 . . . . 10.0 112.165 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -59.98 -34.75 73.72 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.014 0.825 . . . . 10.0 111.614 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.56 -29.28 57.41 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.879 1.704 . . . . 10.0 115.366 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -108.22 -30.04 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.025 1.33 . . . . 10.0 112.891 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.41 -33.3 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.063 1.316 . . . . 10.0 114.037 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -62.37 -13.23 27.01 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.914 1.686 . . . . 10.0 114.624 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -18.85 17.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.593 2.071 . . . . 10.0 116.593 -174.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -69.03 -22.51 64.04 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.809 1.186 . . . . 10.0 113.874 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -82.66 -4.0 57.12 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.684 1.594 . . . . 10.0 113.435 -172.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.57 -24.89 50.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.069 1.878 . . . . 10.0 116.069 -169.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.0 0.48 60.53 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.026 1.298 . . . . 10.0 114.808 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.54 -6.55 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.867 1.667 . . . . 10.0 111.775 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -51.08 -30.27 15.43 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.498 1.519 . . . . 10.0 112.476 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.79 -52.19 64.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.603 1.561 . . . . 10.0 113.061 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -35.51 73.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.29 1.436 . . . . 10.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.35 -40.4 90.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.706 -0.621 . . . . 10.0 111.3 170.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.47 -37.56 80.28 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.422 1.089 . . . . 10.0 112.493 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.11 -42.81 95.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.14 0.576 . . . . 10.0 111.596 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.1 -37.25 69.57 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.929 0.892 . . . . 10.0 112.994 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -66.48 -34.48 78.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.669 0.787 . . . . 10.0 111.455 171.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.73 -37.16 85.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.806 0.73 . . . . 10.0 111.674 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.48 -47.58 85.51 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.477 -0.764 . . . . 10.0 110.782 169.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -66.78 -24.79 66.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.576 1.551 . . . . 10.0 112.659 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -37.52 33.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.965 1.257 . . . . 10.0 114.258 169.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -64.56 -32.3 73.89 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.65 1.114 . . . . 10.0 109.0 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -71.94 -34.34 68.95 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.186 0.995 . . . . 10.0 111.624 168.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -65.3 -38.73 91.14 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 119.264 -2.147 . . . . 10.0 110.994 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -60.81 -32.18 71.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.742 0.817 . . . . 10.0 112.903 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -151.24 89.89 4.16 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.432 1.493 . . . . 10.0 112.431 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -48.91 -24.56 7.4 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 124.695 3.597 . . . . 10.0 118.483 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.3 p -130.02 28.35 5.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 171.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.38 125.01 80.86 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.57 -27.91 26.81 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.742 1.628 . . . . 10.0 115.632 -168.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 m -77.14 -41.29 42.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.99 1.268 . . . . 10.0 111.04 171.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.11 74.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 119.601 1.091 . . . . 10.0 111.743 170.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -35.99 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.949 0.899 . . . . 10.0 111.125 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.79 97.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.037 0.935 . . . . 10.0 111.225 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.58 -53.12 46.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.512 1.525 . . . . 10.0 110.909 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.44 -45.44 73.05 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 118.112 -0.947 . . . . 10.0 112.784 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.33 -38.59 90.61 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.271 1.396 . . . . 10.0 112.579 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.4 ttp -67.64 -48.48 66.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.352 1.061 . . . . 10.0 112.579 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.79 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.616 0.766 . . . . 10.0 109.697 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 ttm -68.76 -35.56 77.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.196 0.907 . . . . 10.0 113.07 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -60.67 -45.68 93.24 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.843 0.857 . . . . 10.0 111.246 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -67.48 -41.69 84.17 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.484 0.714 . . . . 10.0 112.678 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.49 -50.62 72.45 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.179 1.392 . . . . 10.0 111.977 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -66.38 -41.64 89.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.867 0.467 . . . . 10.0 111.008 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.19 -49.05 78.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.495 1.118 . . . . 10.0 112.176 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.71 -41.15 84.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.104 0.562 . . . . 10.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -59.99 -42.55 94.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.715 1.206 . . . . 10.0 112.096 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.81 -49.49 74.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.731 0.812 . . . . 10.0 112.561 170.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.37 75.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -60.88 -37.4 82.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.471 1.108 . . . . 10.0 112.213 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -65.29 -46.34 80.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.385 0.674 . . . . 10.0 111.553 173.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.448 -0.782 . . . . 10.0 113.029 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.188 0.811 . . . . 10.0 113.188 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 t -75.19 -45.54 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 125.021 1.328 . . . . 10.0 111.061 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -54.76 -38.96 67.84 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.134 1.374 . . . . 10.0 112.971 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 12.81 19.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.89 1.276 . . . . 10.0 113.518 -171.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.4 ttp -51.08 -44.86 61.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.534 1.134 . . . . 10.0 113.784 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.3 -27.81 69.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.06 -40.28 17.0 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.312 1.045 . . . . 10.0 111.474 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.39 -41.19 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.974 1.31 . . . . 10.0 111.303 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.73 -34.96 76.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.832 0.853 . . . . 10.0 113.133 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -77.92 -35.47 50.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.321 1.048 . . . . 10.0 112.357 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m -79.76 6.57 10.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.059 1.744 . . . . 10.0 114.529 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 tt -54.05 143.81 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.993 1.317 . . . . 10.0 112.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.05 151.01 31.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.59 1.556 . . . . 10.0 113.041 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.58 2.78 8.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.229 1.411 . . . . 10.0 113.93 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -135.14 175.94 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.43 2.292 . . . . 10.0 110.688 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -54.12 132.77 43.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.111 0.964 . . . . 10.0 112.894 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.01 159.95 31.13 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.257 1.023 . . . . 10.0 112.578 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -59.76 142.23 53.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.196 0.998 . . . . 10.0 111.563 169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -158.46 168.97 25.51 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.203 1.401 . . . . 10.0 111.825 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.883 1.673 . . . . 10.0 111.188 179.647 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m -64.85 158.12 25.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.235 1.014 . . . . 10.0 112.798 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -60.8 155.45 52.18 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.576 0.75 . . . . 10.0 112.923 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.14 162.96 40.18 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.032 2.488 . . . . 10.0 111.57 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.4 167.86 24.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.474 2.783 . . . . 10.0 112.931 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.5 p -136.92 159.12 71.36 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.513 1.525 . . . . 10.0 111.813 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.91 154.01 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 125.048 3.832 . . . . 10.0 115.084 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -138.95 175.9 9.15 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.553 1.941 . . . . 10.0 111.313 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.11 102.01 0.19 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.121 1.369 . . . . 10.0 111.557 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.21 172.9 17.66 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.725 1.61 . . . . 10.0 111.641 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -55.53 -28.78 56.82 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -69.93 -4.8 22.2 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.56 -20.65 14.04 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.496 2.036 . . . . 10.0 116.496 -171.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -133.74 -15.15 2.4 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.481 1.289 . . . . 10.0 114.481 -176.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -59.42 -33.33 71.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.369 1.067 . . . . 10.0 113.862 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.36 60.22 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.479 1.038 . . . . 10.0 114.443 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.52 -36.66 69.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.943 1.297 . . . . 10.0 113.448 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.22 -13.04 59.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.7 1.6 . . . . 10.0 113.72 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -116.52 -29.45 6.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.565 1.546 . . . . 10.0 111.671 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.92 -37.45 35.89 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.871 1.701 . . . . 10.0 114.102 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 tp -56.04 -27.35 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.283 1.433 . . . . 10.0 113.995 174.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.48 -38.21 3.31 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.289 1.423 . . . . 10.0 112.939 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -59.86 -18.11 41.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.603 1.161 . . . . 10.0 113.462 174.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.13 -10.75 11.22 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -76.42 -3.84 39.24 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.403 1.001 . . . . 10.0 112.102 168.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -127.88 -21.64 3.66 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.357 1.863 . . . . 10.0 114.293 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -24.79 41.12 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.675 1.732 . . . . 10.0 115.675 -169.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.98 -12.65 65.43 Favored Glycine 0 CA--C 1.539 1.594 0 C-N-CA 124.668 1.128 . . . . 10.0 115.072 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.14 -28.47 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.0 1.32 . . . . 10.0 112.889 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -54.76 -20.05 7.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.746 1.218 . . . . 10.0 111.528 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -45.07 -39.78 6.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.498 2.319 . . . . 10.0 115.13 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -41.17 49.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.073 -1.017 . . . . 10.0 110.734 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.63 -33.78 75.72 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.527 -0.733 . . . . 10.0 111.855 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.41 -48.57 80.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.704 1.202 . . . . 10.0 110.817 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -57.65 -38.47 75.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.352 0.661 . . . . 10.0 111.655 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.9 tp -73.72 -39.1 64.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.75 -32.37 73.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.755 0.707 . . . . 10.0 112.102 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.48 -42.38 92.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.935 1.294 . . . . 10.0 110.849 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.89 85.87 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.447 -0.783 . . . . 10.0 111.129 170.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -66.44 -24.7 66.49 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.155 1.382 . . . . 10.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -37.57 32.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.039 1.29 . . . . 10.0 114.282 169.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -62.91 -34.88 78.35 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.723 1.147 . . . . 10.0 108.512 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.13 -35.25 73.95 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 124.611 1.164 . . . . 10.0 112.167 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 m -64.56 -38.33 90.64 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 119.421 -2.049 . . . . 10.0 110.941 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.98 -30.89 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.108 0.781 . . . . 10.0 113.108 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -151.8 90.59 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.468 1.507 . . . . 10.0 112.302 170.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -49.14 -24.51 8.0 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.716 3.611 . . . . 10.0 118.416 -169.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -129.95 29.29 4.98 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 116.001 1.852 . . . . 10.0 116.001 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.24 125.31 83.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.651 -1.981 . . . . 10.0 105.651 167.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.04 -24.82 23.41 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 121.604 1.536 . . . . 10.0 115.569 -168.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -78.79 -40.93 31.74 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.047 1.294 . . . . 10.0 110.712 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.24 78.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.273 0.942 . . . . 10.0 111.813 169.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -35.34 40.07 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.919 0.888 . . . . 10.0 110.966 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.16 98.59 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.796 0.838 . . . . 10.0 110.918 169.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -65.25 -53.25 47.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.362 1.465 . . . . 10.0 110.939 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.49 -45.77 73.29 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.022 -0.99 . . . . 10.0 112.584 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.11 -37.99 89.25 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.5 1.5 . . . . 10.0 112.941 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -68.6 -46.42 69.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.587 1.155 . . . . 10.0 112.474 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.34 -35.48 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -67.78 -32.16 72.55 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.465 -0.772 . . . . 10.0 112.555 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.8 m -62.16 -41.93 98.78 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.428 0.691 . . . . 10.0 111.343 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.4 -42.2 79.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -62.65 -44.44 96.27 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.233 1.013 . . . . 10.0 112.28 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -68.24 -34.94 77.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.365 0.666 . . . . 10.0 111.202 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -45.91 87.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.355 1.062 . . . . 10.0 111.447 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.42 -44.39 76.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.691 0.796 . . . . 10.0 112.189 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -44.04 86.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.645 1.178 . . . . 10.0 112.411 175.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -69.67 -32.14 70.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.148 0.979 . . . . 10.0 113.622 173.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.75 73.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.455 -0.778 . . . . 10.0 112.441 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.68 -36.26 82.31 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.739 0.816 . . . . 10.0 112.15 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -69.38 -36.5 76.87 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.845 0.748 . . . . 10.0 112.318 169.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -64.32 -25.22 67.94 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.92 -1.113 . . . . 10.0 113.464 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.28 -28.86 70.02 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.289 -0.882 . . . . 10.0 113.187 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 t -78.88 -41.79 24.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 10.0 110.703 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.15 -33.32 67.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.656 0.782 . . . . 10.0 112.597 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -65.15 -4.4 4.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.025 1.73 . . . . 10.0 114.912 174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -54.47 -27.9 40.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.422 1.464 . . . . 10.0 114.114 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -65.05 -32.3 73.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.664 1.186 . . . . 10.0 113.257 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -77.41 -37.88 50.92 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 10.0 111.455 172.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.12 -41.4 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.52 0.728 . . . . 10.0 111.439 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.72 -23.77 53.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.03 1.332 . . . . 10.0 114.183 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -74.82 -12.19 60.33 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.0 m -137.27 -5.95 1.82 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.126 1.37 . . . . 10.0 114.598 -171.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.25 -15.91 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.331 1.852 . . . . 10.0 114.875 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.43 -10.32 24.33 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.382 1.473 . . . . 10.0 113.796 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.43 165.86 24.18 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.983 1.713 . . . . 10.0 112.698 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -150.81 -49.39 0.12 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.882 1.273 . . . . 10.0 112.655 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 154.71 14.92 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.851 1.661 . . . . 10.0 111.462 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -68.77 -13.59 62.49 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.361 1.245 . . . . 10.0 114.361 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -61.4 126.62 28.0 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.846 1.259 . . . . 10.0 111.975 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -150.19 10.74 0.7 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.619 1.168 . . . . 10.0 113.868 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.077 1.751 . . . . 10.0 112.459 -171.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 119.129 -0.462 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -62.87 155.75 26.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.724 1.21 . . . . 10.0 113.887 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -151.44 157.79 34.69 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.863 1.665 . . . . 10.0 111.412 176.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.32 148.59 14.13 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.094 3.196 . . . . 10.0 113.641 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.87 149.77 78.12 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.414 2.743 . . . . 10.0 113.502 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.0 p -143.54 159.19 55.43 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.29 1.836 . . . . 10.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -52.08 108.37 0.24 Allowed 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 125.097 3.865 . . . . 10.0 113.882 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 tp -156.77 123.24 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.796 1.638 . . . . 10.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.2 mt -144.46 156.65 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.759 1.624 . . . . 10.0 111.139 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.97 159.6 28.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.112 0.965 . . . . 10.0 111.943 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -152.25 162.86 40.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.675 1.19 . . . . 10.0 111.353 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -55.18 -7.93 0.25 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.241 1.816 . . . . 10.0 115.385 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.42 -32.37 49.4 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.876 1.671 . . . . 10.0 111.836 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -151.34 -24.63 0.2 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.317 1.447 . . . . 10.0 114.236 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -82.97 170.28 15.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.758 1.223 . . . . 10.0 112.551 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.59 -53.76 2.0 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.369 1.938 . . . . 10.0 113.88 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -64.69 -28.21 69.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.724 1.21 . . . . 10.0 114.155 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.98 3.76 22.53 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.445 1.276 . . . . 10.0 114.445 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -68.93 -7.69 37.32 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 40.97 4.88 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 107.344 -2.302 . . . . 10.0 107.344 -167.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.263 18.8 tt -25.73 118.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 129.511 3.125 . . . . 10.0 117.007 -168.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.27 -54.57 3.17 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 127.036 2.255 . . . . 10.0 114.031 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -58.31 -23.74 57.48 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.091 1.357 . . . . 10.0 112.668 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -17.82 21.64 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.76 1.763 . . . . 10.0 115.76 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -69.07 -26.05 64.75 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.3 0.955 . . . . 10.0 113.19 169.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -84.85 -11.09 56.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.688 1.595 . . . . 10.0 113.734 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.41 -26.95 55.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.085 1.354 . . . . 10.0 114.204 -174.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.93 -13.84 57.75 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.977 1.275 . . . . 10.0 115.234 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.4 t -129.02 -21.49 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 125.277 1.431 . . . . 10.0 112.673 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -52.84 -19.99 2.93 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.929 0.891 . . . . 10.0 113.194 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.32 -47.24 13.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.77 1.228 . . . . 10.0 113.466 169.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.13 -38.4 75.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.121 0.969 . . . . 10.0 111.097 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -62.22 -38.7 90.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.611 -0.681 . . . . 10.0 111.904 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.63 -39.42 88.28 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.928 1.291 . . . . 10.0 112.161 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -58.88 -41.47 87.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.366 0.666 . . . . 10.0 111.426 170.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.29 -39.95 64.92 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.396 0.887 . . . . 10.0 113.396 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.47 -32.12 73.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.48 0.582 . . . . 10.0 111.718 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.98 -37.33 84.03 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.394 -0.816 . . . . 10.0 111.697 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.99 88.3 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.375 -0.828 . . . . 10.0 111.025 169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -66.65 -25.33 66.52 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.363 1.465 . . . . 10.0 112.523 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.72 34.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.115 1.325 . . . . 10.0 114.305 169.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -64.94 -32.29 73.93 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.667 1.121 . . . . 10.0 109.086 168.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -72.13 -33.69 67.98 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 124.177 0.991 . . . . 10.0 111.75 168.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -65.35 -38.99 91.76 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 119.359 -2.088 . . . . 10.0 110.956 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -60.49 -33.28 72.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.745 0.818 . . . . 10.0 112.875 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -150.4 92.09 4.04 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.188 1.395 . . . . 10.0 112.452 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -51.41 -18.35 5.4 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 124.923 3.749 . . . . 10.0 118.472 -170.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.313 30.6 t -137.59 34.59 2.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 169.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.23 126.31 91.1 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 104.648 -2.352 . . . . 10.0 104.648 167.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.16 -26.76 25.34 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.51 1.473 . . . . 10.0 115.723 -168.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -76.92 -41.29 44.04 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.117 1.326 . . . . 10.0 110.879 170.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.25 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.604 1.093 . . . . 10.0 111.916 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.46 -36.09 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.778 0.831 . . . . 10.0 110.98 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.24 95.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.84 0.856 . . . . 10.0 111.119 169.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -66.2 -53.74 33.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.51 1.524 . . . . 10.0 110.962 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.24 -43.65 74.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.161 -0.923 . . . . 10.0 112.998 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.03 -43.07 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.147 1.34 . . . . 10.0 112.181 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.9 ttp -64.36 -48.3 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.224 1.01 . . . . 10.0 112.295 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.6 mt -68.52 -35.62 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.782 0.833 . . . . 10.0 110.206 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.0 ttm -69.07 -36.67 77.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.012 0.824 . . . . 10.0 112.72 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -56.84 -43.72 81.37 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.694 0.797 . . . . 10.0 111.184 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.52 -44.11 71.67 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.504 0.928 . . . . 10.0 113.504 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -58.99 -48.46 81.48 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.802 1.241 . . . . 10.0 112.23 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -69.44 -40.04 77.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.336 0.654 . . . . 10.0 111.177 -177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.87 -43.27 99.24 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.857 0.863 . . . . 10.0 112.031 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -63.51 -42.6 98.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.914 0.485 . . . . 10.0 112.145 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.98 -42.75 98.96 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.196 0.999 . . . . 10.0 112.615 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -65.66 -38.14 88.5 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 173.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.96 -40.68 78.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.658 0.663 . . . . 10.0 112.55 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.94 -47.91 81.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.582 1.153 . . . . 10.0 111.117 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.1 m -63.77 -36.95 85.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.502 0.721 . . . . 10.0 112.767 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -71.14 -34.36 70.93 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.264 1.026 . . . . 10.0 112.908 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.76 78.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.133 0.879 . . . . 10.0 113.261 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.81 -22.65 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 126.029 1.732 . . . . 10.0 112.561 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.07 3.03 27.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.6 1.96 . . . . 10.0 113.307 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -135.17 10.21 3.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.815 1.646 . . . . 10.0 113.491 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -50.01 -44.64 51.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.686 1.594 . . . . 10.0 113.843 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.63 -33.02 73.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.23 -37.23 66.46 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.623 0.769 . . . . 10.0 111.835 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.99 -44.46 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.051 0.94 . . . . 10.0 110.7 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.7 -39.83 85.89 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.349 1.06 . . . . 10.0 112.251 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.2 m -68.18 -4.54 14.25 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.225 1.41 . . . . 10.0 114.336 171.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 m -121.43 10.65 10.54 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.269 1.828 . . . . 10.0 113.293 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.09 -22.65 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.162 1.385 . . . . 10.0 112.298 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -52.47 150.58 4.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.906 1.682 . . . . 10.0 113.127 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.94 145.51 16.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.262 1.425 . . . . 10.0 114.28 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -70.07 -14.95 62.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.947 1.299 . . . . 10.0 114.263 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -138.54 151.46 47.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.306 1.442 . . . . 10.0 111.534 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -154.18 164.55 38.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.913 1.685 . . . . 10.0 110.652 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.72 162.35 29.22 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -143.2 159.97 41.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.479 1.511 . . . . 10.0 111.556 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.138 1.775 . . . . 10.0 110.907 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.3 mtm . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -154.94 175.93 13.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.122 1.369 . . . . 10.0 112.353 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -144.9 158.87 51.92 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.63 1.572 . . . . 10.0 111.532 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -72.59 158.08 51.46 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 122.711 2.274 . . . . 10.0 111.846 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.57 -32.27 89.45 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.443 3.429 . . . . 10.0 115.808 171.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.257 18.3 p 66.76 151.93 0.12 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 127.933 2.493 . . . . 10.0 113.664 -169.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.24 144.4 39.07 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 124.833 3.689 . . . . 10.0 115.785 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 tp -153.55 152.17 30.62 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.431 1.893 . . . . 10.0 110.105 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -137.01 0.29 2.36 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.763 1.764 . . . . 10.0 115.763 -175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.25 23.1 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.264 1.426 . . . . 10.0 111.295 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -159.08 -44.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.469 1.507 . . . . 10.0 110.734 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -151.65 145.84 25.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.539 1.936 . . . . 10.0 109.453 169.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -145.93 -179.97 7.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.492 1.517 . . . . 10.0 111.624 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -57.98 -15.54 9.36 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.792 1.775 . . . . 10.0 115.792 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -50.16 119.2 3.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.725 1.61 . . . . 10.0 112.266 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.32 -40.16 2.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.869 1.223 . . . . 10.0 114.19 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -57.03 -42.21 80.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.161 0.984 . . . . 10.0 112.363 172.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.98 -38.03 81.38 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.71 1.204 . . . . 10.0 112.468 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -65.9 -37.25 85.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.279 1.032 . . . . 10.0 111.664 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.12 -34.33 62.22 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.661 1.6 . . . . 10.0 114.667 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -56.55 -32.98 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.224 1.01 . . . . 10.0 112.166 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.47 92.02 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.458 1.028 . . . . 10.0 113.974 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -82.16 -25.87 33.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.976 1.31 . . . . 10.0 112.631 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.78 64.71 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.423 1.638 . . . . 10.0 115.423 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -67.01 -9.37 38.27 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.82 1.044 . . . . 10.0 113.82 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -117.78 -43.81 2.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.961 2.104 . . . . 10.0 111.545 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.91 -35.47 71.1 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.708 0.803 . . . . 10.0 112.4 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.92 -6.48 31.3 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.483 1.516 . . . . 10.0 115.341 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.66 -34.64 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 118.697 1.249 . . . . 10.0 111.794 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -57.4 -20.12 27.72 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.744 0.418 . . . . 10.0 110.672 168.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -43.02 -46.16 5.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.898 2.479 . . . . 10.0 113.92 168.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -40.51 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.649 0.738 . . . . 10.0 110.777 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.567 -0.708 . . . . 10.0 111.866 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.72 -38.12 86.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.941 0.896 . . . . 10.0 112.537 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.83 -39.81 86.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.84 0.856 . . . . 10.0 111.47 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -72.45 -38.47 68.26 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 113.033 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -65.99 -33.08 74.99 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.63 0.65 . . . . 10.0 111.994 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.03 -37.24 85.38 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.396 -0.815 . . . . 10.0 111.824 170.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.1 83.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.458 -0.776 . . . . 10.0 110.691 169.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.05 -24.66 66.78 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.383 1.473 . . . . 10.0 112.446 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -36.78 34.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 169.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -65.17 -32.68 74.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.091 1.314 . . . . 10.0 108.667 168.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.42 -36.48 71.33 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 123.892 0.877 . . . . 10.0 111.505 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.0 m -64.24 -37.41 87.38 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 119.316 -2.115 . . . . 10.0 110.984 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -59.4 -36.2 75.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.853 1.661 . . . . 10.0 112.57 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -151.54 92.2 3.72 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.241 1.416 . . . . 10.0 112.143 169.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -48.45 -26.19 8.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 124.879 3.72 . . . . 10.0 118.46 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.5 p -129.94 28.02 5.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.973 1.842 . . . . 10.0 115.973 171.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.59 125.45 82.51 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 167.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.17 -26.86 25.21 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.526 1.484 . . . . 10.0 115.547 -168.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -77.57 -40.53 42.03 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.098 1.317 . . . . 10.0 111.024 171.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 119.668 1.122 . . . . 10.0 111.811 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -36.06 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.883 0.873 . . . . 10.0 110.944 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.65 97.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.965 0.906 . . . . 10.0 111.009 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.54 -53.94 35.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.542 1.537 . . . . 10.0 110.902 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -55.3 -43.84 75.21 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.335 -0.84 . . . . 10.0 112.921 171.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.85 -39.64 90.96 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 120.236 1.38 . . . . 10.0 112.698 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.2 ttp -66.52 -47.46 72.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.456 1.103 . . . . 10.0 112.442 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.83 -36.75 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.852 0.861 . . . . 10.0 110.058 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -69.2 -36.22 77.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.953 0.797 . . . . 10.0 112.837 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.8 t -57.34 -50.09 74.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.765 0.826 . . . . 10.0 110.437 170.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.88 -43.08 97.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.78 -48.28 81.78 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.09 1.356 . . . . 10.0 112.239 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -74.84 -38.55 61.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.634 0.374 . . . . 10.0 111.52 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.61 -50.42 73.89 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.023 1.329 . . . . 10.0 111.005 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -47.71 84.29 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.274 0.63 . . . . 10.0 112.107 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -59.14 -46.23 88.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.882 0.873 . . . . 10.0 112.704 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -61.14 -47.19 87.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.92 0.888 . . . . 10.0 112.669 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.82 75.89 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.86 -44.46 94.12 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.738 1.215 . . . . 10.0 111.547 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.9 m -65.17 -41.5 94.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.22 0.608 . . . . 10.0 112.196 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -71.27 -45.03 64.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.53 0.732 . . . . 10.0 112.652 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.03 97.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.132 0.973 . . . . 10.0 112.872 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.92 -26.67 36.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.134 1.373 . . . . 10.0 112.783 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.59 -0.96 42.09 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.136 1.375 . . . . 10.0 114.056 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.6 m -135.86 -9.02 2.1 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -46.32 -46.04 17.91 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.044 1.498 . . . . 10.0 115.044 -169.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.59 -29.99 71.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.304 1.042 . . . . 10.0 113.698 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -85.55 -40.21 16.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.067 0.947 . . . . 10.0 111.992 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.54 -35.43 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.986 0.914 . . . . 10.0 111.767 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.95 -16.98 7.96 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.897 1.279 . . . . 10.0 114.355 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.4 m -126.86 9.01 6.88 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.499 1.919 . . . . 10.0 113.104 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t -152.12 31.09 0.55 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.37 1.468 . . . . 10.0 112.311 -173.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.7 147.33 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.346 1.459 . . . . 10.0 113.243 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.9 tp -145.97 143.17 29.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.112 1.765 . . . . 10.0 109.898 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.5 -5.91 4.72 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.939 1.089 . . . . 10.0 113.939 -174.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -70.27 132.19 45.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.02 0.928 . . . . 10.0 111.826 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -156.73 166.95 31.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.244 1.418 . . . . 10.0 111.33 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -73.64 39.51 0.1 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.338 1.855 . . . . 10.0 112.681 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.0 156.76 32.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.55 1.54 . . . . 10.0 113.286 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -149.25 152.45 35.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.096 1.359 . . . . 10.0 111.07 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 124.419 1.087 . . . . 10.0 113.278 172.198 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 p -150.15 175.55 11.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.481 1.512 . . . . 10.0 111.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -57.23 156.11 15.7 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.543 1.137 . . . . 10.0 113.571 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -71.22 160.51 48.73 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 122.774 2.316 . . . . 10.0 111.721 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.74 168.32 23.17 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.501 2.801 . . . . 10.0 112.491 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.2 p -134.32 153.04 79.13 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.275 1.43 . . . . 10.0 111.38 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -81.07 152.47 18.65 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.617 2.878 . . . . 10.0 113.252 -169.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.75 129.13 10.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.106 1.763 . . . . 10.0 108.99 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -147.67 145.12 28.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.863 1.265 . . . . 10.0 110.896 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.81 -2.61 2.11 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.697 1.199 . . . . 10.0 114.215 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.88 -32.1 71.52 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.087 -1.008 . . . . 10.0 112.967 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -154.26 165.02 37.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.885 1.674 . . . . 10.0 111.541 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.51 -4.36 0.99 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.654 1.181 . . . . 10.0 113.381 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -129.49 6.52 5.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.213 1.405 . . . . 10.0 114.126 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -56.85 -28.83 62.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.425 1.09 . . . . 10.0 113.788 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.4 -41.42 87.86 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.131 -0.981 . . . . 10.0 113.792 171.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -70.45 -37.58 74.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.935 0.894 . . . . 10.0 112.501 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.07 -45.24 93.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.689 0.796 . . . . 10.0 111.954 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.04 -25.78 66.43 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.549 1.139 . . . . 10.0 112.485 171.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.19 -29.16 21.1 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 126.511 2.005 . . . . 10.0 115.907 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.65 -16.29 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 10.0 113.736 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.9 -44.08 8.63 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.179 1.847 . . . . 10.0 115.138 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -17.51 22.29 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 115.264 1.579 . . . . 10.0 115.264 177.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.53 -23.37 6.11 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.513 1.925 . . . . 10.0 113.346 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.28 -30.71 66.6 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.497 -0.752 . . . . 10.0 111.892 169.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.95 -3.78 14.16 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.319 1.448 . . . . 10.0 114.076 174.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.64 -20.98 36.95 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -171.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.59 11.57 30.4 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.713 1.149 . . . . 10.0 114.915 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.9 -4.47 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.059 1.344 . . . . 10.0 112.426 171.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -52.39 -24.63 8.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.337 1.455 . . . . 10.0 113.388 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.61 -40.34 96.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.391 1.476 . . . . 10.0 114.17 172.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -36.63 35.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.555 1.542 . . . . 10.0 111.046 172.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -61.11 -38.26 85.68 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.453 -0.779 . . . . 10.0 111.251 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -58.7 -46.7 86.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.763 2.025 . . . . 10.0 111.888 170.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -61.73 -40.64 95.8 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.103 0.561 . . . . 10.0 112.014 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -74.2 -39.19 63.3 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.7 -30.96 70.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.441 0.564 . . . . 10.0 111.888 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.21 -37.42 83.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.914 0.779 . . . . 10.0 111.267 169.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.13 87.23 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.469 -0.769 . . . . 10.0 110.705 169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.08 -23.81 66.59 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.05 1.34 . . . . 10.0 112.568 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.15 -38.72 30.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.048 1.295 . . . . 10.0 114.232 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -62.61 -34.6 77.35 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.942 1.246 . . . . 10.0 108.768 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.39 -35.83 76.18 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 124.478 1.111 . . . . 10.0 111.962 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -63.45 -38.61 91.8 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 119.802 -1.811 . . . . 10.0 110.818 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -59.83 -32.74 70.95 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.77 87.77 4.35 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.424 1.489 . . . . 10.0 111.958 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -47.06 -24.45 3.36 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.957 3.771 . . . . 10.0 119.284 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 p -129.98 30.95 4.76 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 171.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 125.04 84.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 168.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.06 -25.93 26.7 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 121.583 1.522 . . . . 10.0 115.598 -168.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -78.33 -41.17 34.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.066 1.303 . . . . 10.0 110.86 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.05 -41.9 75.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.402 1.001 . . . . 10.0 111.771 170.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.83 -35.18 38.71 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.939 0.895 . . . . 10.0 110.932 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.8 98.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.825 0.85 . . . . 10.0 111.013 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.09 -53.56 43.63 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.575 1.55 . . . . 10.0 110.806 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -54.27 -45.63 72.5 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.127 -0.939 . . . . 10.0 112.735 171.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -65.85 -37.08 85.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.41 1.459 . . . . 10.0 112.892 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -69.18 -46.15 68.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.614 1.165 . . . . 10.0 112.696 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -68.88 -36.14 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.654 0.782 . . . . 10.0 109.809 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.6 ttm -68.27 -33.97 75.34 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.557 -0.714 . . . . 10.0 112.677 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.0 m -60.46 -47.2 87.13 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.424 0.69 . . . . 10.0 110.719 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.6 -45.27 91.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.398 0.679 . . . . 10.0 112.717 174.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.54 -48.52 79.08 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.05 1.34 . . . . 10.0 112.127 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.02 -39.03 69.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.033 0.533 . . . . 10.0 111.27 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.56 -47.34 84.27 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.767 1.227 . . . . 10.0 111.536 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -59.92 -44.75 94.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.926 0.49 . . . . 10.0 111.961 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -62.92 -42.03 99.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.103 0.961 . . . . 10.0 112.679 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -62.06 -40.18 94.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.545 0.738 . . . . 10.0 112.808 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.9 78.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -61.72 -47.81 83.59 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.973 0.909 . . . . 10.0 111.068 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -62.56 -30.43 71.31 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.658 0.985 . . . . 10.0 113.658 174.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -71.94 -44.74 63.13 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.068 0.947 . . . . 10.0 111.994 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.89 77.76 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.254 1.022 . . . . 10.0 113.17 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.47 -32.53 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.607 1.563 . . . . 10.0 112.751 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -94.76 4.73 53.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.297 1.439 . . . . 10.0 113.745 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 m -125.17 4.67 7.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.939 1.696 . . . . 10.0 112.895 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.0 ttt -56.44 -37.58 70.45 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.108 1.151 . . . . 10.0 114.108 -169.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -65.96 -44.15 85.83 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.184 0.902 . . . . 10.0 111.429 177.509 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.64 -40.41 96.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.543 0.737 . . . . 10.0 111.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.9 -38.76 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.441 1.096 . . . . 10.0 111.337 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.9 -39.68 90.83 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.21 -0.931 . . . . 10.0 112.397 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.0 m -67.49 -36.19 80.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.998 0.919 . . . . 10.0 113.155 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -157.02 118.0 3.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 10.0 110.341 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.25 14.9 tt -77.72 42.22 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 125.659 1.583 . . . . 10.0 113.815 -169.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.5 mt -133.15 138.37 46.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.793 2.037 . . . . 10.0 110.616 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.59 -33.9 61.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.728 1.211 . . . . 10.0 112.89 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -60.12 -22.94 63.43 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.392 1.477 . . . . 10.0 114.449 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -75.3 -30.59 60.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -69.97 103.19 2.18 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.621 0.768 . . . . 10.0 111.236 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -154.18 162.56 41.1 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.183 1.393 . . . . 10.0 111.818 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.57 -24.42 65.51 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.991 1.316 . . . . 10.0 113.873 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.124 1.77 . . . . 10.0 111.691 -175.48 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -153.03 174.88 13.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.694 1.598 . . . . 10.0 111.468 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -144.83 156.56 55.62 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.529 1.132 . . . . 10.0 112.87 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.36 167.88 24.91 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 123.708 2.938 . . . . 10.0 112.26 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.51 169.15 0.35 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.823 3.682 . . . . 10.0 114.464 169.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.8 p -130.59 160.73 64.78 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.454 1.102 . . . . 10.0 113.067 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.74 -4.29 1.87 Allowed 'Trans proline' 0 CA--C 1.544 0.995 1 C-N-CA 125.383 4.055 . . . . 10.0 116.847 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.18 -22.09 64.4 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.503 1.521 . . . . 10.0 114.207 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.42 105.53 0.44 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.526 1.53 . . . . 10.0 111.564 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.45 22.92 1.65 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 -169.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.06 -13.52 7.09 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.455 1.65 . . . . 10.0 115.455 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -54.96 -29.4 56.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.811 1.644 . . . . 10.0 113.517 171.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 47.49 0.54 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.506 1.922 . . . . 10.0 113.038 -176.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -135.86 -16.19 1.74 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.085 1.754 . . . . 10.0 113.21 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -53.88 -29.99 43.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.684 1.193 . . . . 10.0 113.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.18 25.71 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.589 1.566 . . . . 10.0 115.698 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.52 -34.83 73.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.105 0.962 . . . . 10.0 112.995 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.17 -24.29 51.5 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.167 0.987 . . . . 10.0 112.358 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -57.85 -28.07 63.8 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 120.045 1.293 . . . . 10.0 111.835 171.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.17 -21.29 24.84 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 126.214 1.864 . . . . 10.0 116.208 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.8 tt -127.82 -30.07 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.023 1.329 . . . . 10.0 113.618 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.45 -35.42 61.34 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.928 1.728 . . . . 10.0 114.635 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -52.09 -41.61 62.56 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.954 1.301 . . . . 10.0 113.037 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 -19.43 34.66 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.503 0.927 . . . . 10.0 113.503 -170.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -83.46 9.01 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.261 0.837 . . . . 10.0 113.261 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -125.04 12.78 8.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.592 1.957 . . . . 10.0 111.905 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.38 -21.65 1.52 Allowed 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 117.657 2.466 . . . . 10.0 117.657 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.66 -9.71 71.38 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 124.517 1.056 . . . . 10.0 115.337 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.28 -7.49 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.938 2.095 . . . . 10.0 111.607 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -53.2 -24.28 10.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.387 1.875 . . . . 10.0 112.364 169.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.17 -39.78 75.97 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.096 1.758 . . . . 10.0 113.822 169.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -36.55 35.38 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.292 1.437 . . . . 10.0 110.677 173.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -32.33 73.32 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.356 -0.84 . . . . 10.0 112.017 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.1 -42.75 84.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.608 1.563 . . . . 10.0 111.777 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.02 -42.27 93.98 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.62 0.768 . . . . 10.0 111.494 172.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -72.4 -38.35 68.45 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.382 0.882 . . . . 10.0 113.382 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.22 -33.36 75.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.952 0.901 . . . . 10.0 111.759 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.49 -39.01 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.53 0.732 . . . . 10.0 111.584 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.99 -47.77 83.97 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.669 -0.644 . . . . 10.0 110.853 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.82 -25.66 66.55 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.739 1.616 . . . . 10.0 112.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.29 -36.98 33.64 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.889 1.222 . . . . 10.0 114.266 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -63.87 -33.34 75.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.831 1.196 . . . . 10.0 108.767 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tp -70.9 -36.2 72.62 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.315 1.046 . . . . 10.0 111.923 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 m -63.45 -38.18 90.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 119.528 -1.983 . . . . 10.0 111.058 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.61 -32.99 73.14 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.172 0.989 . . . . 10.0 112.974 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -150.88 90.89 4.1 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.441 1.497 . . . . 10.0 112.154 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -48.78 -24.15 6.62 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 124.773 3.649 . . . . 10.0 118.38 -169.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -130.49 27.91 4.97 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.74 124.98 78.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 105.832 -1.914 . . . . 10.0 105.832 167.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 -25.3 24.28 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.62 1.547 . . . . 10.0 115.545 -168.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -77.74 -41.8 36.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.08 1.309 . . . . 10.0 110.808 170.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.35 74.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.472 1.033 . . . . 10.0 111.881 170.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -35.27 38.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.001 0.92 . . . . 10.0 111.107 -177.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.44 98.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.809 0.844 . . . . 10.0 111.026 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.48 -53.67 39.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.567 1.547 . . . . 10.0 110.58 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -54.27 -44.9 72.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.064 -0.969 . . . . 10.0 112.854 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.93 -39.73 93.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.397 1.453 . . . . 10.0 112.688 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -66.66 -47.7 71.7 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.494 1.118 . . . . 10.0 112.085 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.5 mt -69.01 -36.06 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.839 0.855 . . . . 10.0 110.256 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -68.54 -33.32 73.9 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.502 -0.749 . . . . 10.0 112.374 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -58.7 -49.03 79.08 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.501 0.72 . . . . 10.0 110.607 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.31 -44.29 95.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.82 -48.56 80.89 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.866 1.266 . . . . 10.0 112.191 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.52 -40.52 56.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.307 0.643 . . . . 10.0 111.584 -174.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.17 -47.75 84.17 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.226 1.011 . . . . 10.0 111.777 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.68 -44.52 96.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.128 0.571 . . . . 10.0 112.407 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -66.34 -43.4 86.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.099 0.96 . . . . 10.0 112.43 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.55 -42.06 87.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.432 1.093 . . . . 10.0 112.604 172.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.08 82.69 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -48.19 80.78 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.553 0.615 . . . . 10.0 111.779 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 m -63.55 -28.21 69.79 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.4 m -71.55 -49.16 43.45 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.452 -0.78 . . . . 10.0 111.451 171.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.1 79.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 10.0 113.073 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 t -60.28 -27.84 40.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.711 . . . . 10.0 113.213 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -91.66 -38.64 12.31 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.831 0.853 . . . . 10.0 112.836 173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -22.24 63.8 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -30.81 32.63 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -67.15 -26.2 66.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.51 -31.22 69.34 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.583 -0.698 . . . . 10.0 112.035 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.7 mm -71.14 -40.1 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.208 1.003 . . . . 10.0 110.927 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.34 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.737 0.815 . . . . 10.0 112.819 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -61.26 -17.61 54.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -61.97 -14.0 30.82 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.6 tp -61.47 -21.32 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.357 1.063 . . . . 10.0 113.814 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.1 mt -73.77 18.66 0.13 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.549 1.94 . . . . 10.0 114.91 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.06 -34.73 72.29 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.296 1.439 . . . . 10.0 113.945 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -152.1 152.66 32.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.619 1.168 . . . . 10.0 112.135 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -153.18 131.77 12.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.197 1.399 . . . . 10.0 110.876 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.57 ' CG ' ' H ' ' A' ' 90' ' ' HIS . 21.4 t-80 -155.09 -170.1 3.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.04 1.736 . . . . 10.0 110.645 176.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.57 ' H ' ' CG ' ' A' ' 89' ' ' HIS . 26.9 t-80 -57.3 -8.03 0.68 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.181 2.193 . . . . 10.0 115.414 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -57.48 -25.41 59.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.476 1.288 . . . . 10.0 114.476 171.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.457 1.903 . . . . 10.0 112.547 -171.6 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -157.7 -42.25 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.864 1.266 . . . . 10.0 111.513 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.89 161.7 11.41 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 125.691 1.596 . . . . 10.0 112.602 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -68.8 154.2 71.58 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.122 1.882 . . . . 10.0 111.197 169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -52.18 151.59 16.69 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.224 3.283 . . . . 10.0 114.601 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -141.83 157.91 63.55 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.717 1.607 . . . . 10.0 111.702 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.39 148.36 42.67 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.555 3.503 . . . . 10.0 114.333 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -149.95 99.67 2.86 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.284 1.434 . . . . 10.0 110.226 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.97 -35.05 70.63 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.784 0.834 . . . . 10.0 113.101 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.66 -10.79 5.76 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.962 1.467 . . . . 10.0 114.962 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.65 19.7 5.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.36 1.864 . . . . 10.0 111.736 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -139.51 -31.86 0.67 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.843 1.257 . . . . 10.0 113.775 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.42 -10.43 59.73 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.217 -0.927 . . . . 10.0 113.375 170.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -142.49 158.79 43.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.054 1.742 . . . . 10.0 111.548 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -140.37 6.25 2.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.16 1.384 . . . . 10.0 114.38 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.59 -38.97 0.14 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.257 0.932 . . . . 10.0 114.46 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.11 -33.34 67.25 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.777 1.029 . . . . 10.0 113.777 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.69 -28.31 68.52 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.694 1.198 . . . . 10.0 113.214 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -81.34 -38.23 27.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.955 0.902 . . . . 10.0 111.425 171.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.95 99.73 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.569 1.081 . . . . 10.0 113.989 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -76.44 -2.97 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.16 1.384 . . . . 10.0 113.084 172.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.42 -39.99 15.27 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.827 1.679 . . . . 10.0 115.406 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -56.52 -35.69 68.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.273 1.429 . . . . 10.0 113.419 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.65 -29.81 15.92 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.555 1.542 . . . . 10.0 113.166 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.17 -29.43 69.72 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.77 0.655 . . . . 10.0 112.77 176.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.04 -34.64 60.53 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.919 1.288 . . . . 10.0 113.652 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.16 -18.14 64.53 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.996 0.918 . . . . 10.0 113.471 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.77 -33.58 30.0 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.697 1.141 . . . . 10.0 113.135 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.13 -17.38 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 118.828 1.314 . . . . 10.0 112.878 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -54.23 -20.65 7.33 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.806 0.842 . . . . 10.0 112.771 169.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.86 -38.11 64.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.5 1.52 . . . . 10.0 113.417 169.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -42.2 96.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.276 1.03 . . . . 10.0 110.787 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -35.88 81.0 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.524 -0.735 . . . . 10.0 111.619 172.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -68.5 -38.59 81.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.166 0.986 . . . . 10.0 112.724 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.0 -41.11 91.38 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.892 0.877 . . . . 10.0 111.261 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -70.53 -38.52 74.23 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.29 -33.39 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.749 0.704 . . . . 10.0 112.409 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.68 -43.67 95.97 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.502 -0.749 . . . . 10.0 110.833 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.72 87.2 Favored 'General case' 0 C--N 1.34 0.163 0 O-C-N 122.084 -0.385 . . . . 10.0 111.259 173.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -67.4 -27.31 66.98 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.245 1.418 . . . . 10.0 112.596 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.39 34.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.405 1.261 . . . . 10.0 114.405 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -63.45 -34.71 78.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.644 1.111 . . . . 10.0 108.877 169.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 tp -71.79 -34.69 69.61 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 124.932 1.293 . . . . 10.0 112.099 169.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -63.87 -38.72 92.12 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 119.427 -2.046 . . . . 10.0 111.006 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.22 -32.02 71.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.824 0.85 . . . . 10.0 112.975 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -151.46 90.34 4.02 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.457 1.503 . . . . 10.0 112.261 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -49.33 -24.28 8.29 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.677 3.584 . . . . 10.0 118.11 -169.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -130.16 29.33 4.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 116.126 1.898 . . . . 10.0 116.126 171.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 124.61 80.5 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 167.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.21 -27.42 29.1 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.811 1.674 . . . . 10.0 115.573 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.7 m -77.8 -41.11 38.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.732 1.151 . . . . 10.0 110.985 171.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.46 75.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.421 1.01 . . . . 10.0 111.88 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -35.74 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.039 0.936 . . . . 10.0 111.088 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.95 97.96 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.871 0.868 . . . . 10.0 110.924 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.59 -53.86 35.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.365 1.466 . . . . 10.0 110.921 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.0 -44.87 71.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.974 0.91 . . . . 10.0 112.74 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -64.76 -41.03 96.19 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.131 1.332 . . . . 10.0 112.681 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -66.52 -45.24 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.412 1.085 . . . . 10.0 112.245 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.6 mt -71.44 -36.07 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.741 0.816 . . . . 10.0 110.077 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.13 -34.44 76.36 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.946 0.794 . . . . 10.0 112.831 176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -57.88 -45.73 85.94 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 10.0 111.128 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.47 -42.83 74.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.71 0.804 . . . . 10.0 113.106 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -57.96 -47.22 83.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.32 1.448 . . . . 10.0 112.109 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.53 -40.86 93.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.424 0.689 . . . . 10.0 111.432 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.63 -47.86 83.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.53 1.132 . . . . 10.0 112.509 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -66.18 -36.63 83.58 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -68.29 -34.41 76.11 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.03 -35.53 75.29 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.035 0.834 . . . . 10.0 112.562 170.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.24 -32.98 56.14 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.42 -37.95 82.5 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.118 -0.989 . . . . 10.0 111.975 173.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -57.52 -28.11 63.19 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.772 1.026 . . . . 10.0 113.772 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.7 m -65.2 -21.89 66.82 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.106 -0.996 . . . . 10.0 113.589 174.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -36.23 59.01 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.215 0.916 . . . . 10.0 112.484 171.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.02 -30.5 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.685 1.594 . . . . 10.0 111.955 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -56.83 -15.89 5.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.917 1.287 . . . . 10.0 114.389 170.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -118.01 11.43 13.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.115 1.766 . . . . 10.0 112.965 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.9 tpp -54.46 -36.38 64.02 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.863 -1.148 . . . . 10.0 113.243 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.0 -27.92 68.49 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.35 -35.51 71.19 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.958 0.799 . . . . 10.0 111.679 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.47 -40.33 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.979 0.912 . . . . 10.0 111.211 172.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.98 -35.39 78.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.653 1.181 . . . . 10.0 112.771 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 m -63.63 -17.32 62.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 m -75.77 10.11 1.97 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.96 1.304 . . . . 10.0 114.186 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.7 tt -47.07 -30.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.805 2.042 . . . . 10.0 116.396 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.34 -8.12 43.4 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.854 1.427 . . . . 10.0 114.854 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -139.38 -161.21 1.16 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 128.203 2.601 . . . . 10.0 109.672 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -56.65 133.15 53.58 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.387 -1.445 . . . . 10.0 111.561 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -155.79 178.42 10.28 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.322 1.449 . . . . 10.0 111.802 -173.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -144.36 160.75 40.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.728 1.611 . . . . 10.0 110.101 174.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -147.65 134.76 20.41 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.869 1.268 . . . . 10.0 110.764 -175.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 127.88 34.15 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.496 1.119 . . . . 10.0 112.482 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.49 1.516 . . . . 10.0 112.763 -177.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -64.99 140.3 58.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.088 0.955 . . . . 10.0 112.168 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -68.4 156.04 91.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.205 0.602 . . . . 10.0 112.155 171.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.2 159.58 46.97 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.83 2.354 . . . . 10.0 111.404 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.32 159.52 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.113 2.542 . . . . 10.0 112.256 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.9 p -139.89 158.45 67.52 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 125.423 1.489 . . . . 10.0 111.578 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -53.7 157.84 9.28 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.838 3.692 . . . . 10.0 115.04 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.6 mt -121.29 33.94 5.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.099 1.76 . . . . 10.0 111.321 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.07 -17.18 61.98 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.735 1.614 . . . . 10.0 114.507 -172.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.3 161.39 41.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.538 1.535 . . . . 10.0 111.634 172.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.48 -25.63 64.59 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.456 1.103 . . . . 10.0 113.892 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -59.26 -19.1 43.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.042 1.337 . . . . 10.0 113.736 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -92.65 -4.69 52.88 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.939 1.296 . . . . 10.0 113.295 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -128.82 -2.12 5.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.344 1.458 . . . . 10.0 113.764 -171.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -54.29 -26.17 27.78 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.164 1.542 . . . . 10.0 115.164 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.87 -28.88 74.0 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.665 1.126 . . . . 10.0 114.838 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.62 -33.71 20.07 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.57 1.148 . . . . 10.0 112.15 171.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.53 -20.21 30.15 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.573 1.149 . . . . 10.0 113.808 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -45.14 -33.79 2.38 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 128.266 2.626 . . . . 10.0 116.1 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.4 -46.95 0.04 OUTLIER Glycine 0 N--CA 1.474 1.189 0 C-N-CA 124.734 1.159 . . . . 10.0 112.692 -170.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.0 mm -55.78 -32.64 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 117.887 0.844 . . . . 10.0 108.735 168.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.86 -31.95 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 129.891 3.615 . . . . 10.0 116.714 168.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -118.75 6.24 11.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.449 1.5 . . . . 10.0 114.983 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.48 -13.61 61.87 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.803 -1.186 . . . . 10.0 112.994 169.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -79.51 5.55 12.63 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.31 1.044 . . . . 10.0 112.339 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -134.1 33.84 3.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 10.0 109.72 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.16 -21.73 5.45 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.85 2.167 . . . . 10.0 116.85 -169.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.12 1.74 59.35 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.719 1.152 . . . . 10.0 115.182 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 t -131.39 -8.41 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.831 1.652 . . . . 10.0 112.768 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.47 -30.1 11.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.054 -1.029 . . . . 10.0 112.545 169.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.15 -55.4 35.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.079 1.752 . . . . 10.0 113.093 171.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -36.24 78.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.917 1.287 . . . . 10.0 110.378 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -64.92 -35.49 81.34 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.599 -0.688 . . . . 10.0 112.353 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.66 -38.14 73.77 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.844 1.258 . . . . 10.0 112.547 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.78 -42.16 88.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.79 0.723 . . . . 10.0 111.194 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.77 -37.88 70.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.166 0.987 . . . . 10.0 113.183 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.89 -34.96 79.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.97 0.908 . . . . 10.0 111.615 171.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.36 -39.61 89.24 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.609 -0.682 . . . . 10.0 111.809 170.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.02 -46.17 85.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.512 0.596 . . . . 10.0 111.114 169.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -65.79 -25.12 67.1 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.362 1.465 . . . . 10.0 112.07 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -36.59 34.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.903 1.229 . . . . 10.0 114.039 169.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.13 -35.8 79.84 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.647 1.112 . . . . 10.0 108.582 169.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.28 -36.21 74.24 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 125.184 1.393 . . . . 10.0 112.435 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.29 -37.94 89.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 119.558 -1.964 . . . . 10.0 110.927 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.61 -31.78 71.87 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.68 90.11 3.99 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.54 1.536 . . . . 10.0 112.04 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -48.52 -24.77 6.82 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 124.829 3.686 . . . . 10.0 118.456 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -129.8 27.9 5.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.184 1.92 . . . . 10.0 116.184 171.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.1 124.72 78.7 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 167.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.37 -24.53 26.79 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.76 1.64 . . . . 10.0 115.493 -168.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -80.35 -39.77 27.92 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.904 1.229 . . . . 10.0 110.85 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.05 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 119.471 1.032 . . . . 10.0 111.539 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -35.17 44.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.035 0.934 . . . . 10.0 110.824 -178.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.4 98.56 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.597 0.759 . . . . 10.0 111.013 169.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.09 -54.13 34.69 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 125.446 1.498 . . . . 10.0 110.83 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.75 -45.35 74.16 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.918 -1.039 . . . . 10.0 112.67 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -65.25 -37.69 88.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.639 1.563 . . . . 10.0 112.743 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -68.31 -48.63 64.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.604 1.162 . . . . 10.0 112.19 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 87.6 mt -66.32 -35.48 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.624 0.77 . . . . 10.0 109.825 176.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.1 ttm -69.46 -34.67 74.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.915 0.78 . . . . 10.0 112.998 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.9 m -61.6 -44.31 97.23 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.794 0.838 . . . . 10.0 110.941 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.23 -45.01 82.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.251 0.62 . . . . 10.0 112.665 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -56.78 -51.39 69.1 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.966 1.306 . . . . 10.0 111.826 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.63 -40.52 73.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.858 0.463 . . . . 10.0 111.38 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.91 -48.52 73.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.869 0.867 . . . . 10.0 112.138 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -66.74 -40.28 88.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 10.0 112.086 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -63.66 -43.5 96.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.994 0.918 . . . . 10.0 112.133 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.4 -44.69 84.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.294 0.952 . . . . 10.0 112.322 172.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.67 91.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.1 -41.29 90.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.764 0.826 . . . . 10.0 112.326 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 m -62.06 -33.22 74.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.536 1.135 . . . . 10.0 113.126 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 m -59.79 -28.95 67.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.517 1.053 . . . . 10.0 113.824 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.91 -43.76 17.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.276 0.631 . . . . 10.0 112.382 172.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.29 -29.03 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.362 1.465 . . . . 10.0 112.469 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -51.92 -33.7 38.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.597 1.559 . . . . 10.0 112.831 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.309 1.044 . . . . 10.0 113.228 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 mmt -96.28 -38.7 9.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.723 1.209 . . . . 10.0 112.311 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.97 -31.97 73.2 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.322 -0.861 . . . . 10.0 113.215 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.82 -27.85 65.48 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.959 0.904 . . . . 10.0 113.169 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.83 -54.08 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.209 1.004 . . . . 10.0 109.864 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.68 -39.67 94.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -171.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.4 m -69.09 -3.48 13.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.663 1.357 . . . . 10.0 114.663 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.5 p -67.43 -15.98 63.97 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.3 151.13 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 125.216 1.406 . . . . 10.0 112.777 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.13 73.04 1.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.525 1.13 . . . . 10.0 110.797 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -131.9 1.21 3.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.586 1.154 . . . . 10.0 113.924 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -136.59 15.78 3.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.286 1.434 . . . . 10.0 113.265 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -63.9 -23.62 67.42 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.817 1.247 . . . . 10.0 113.296 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -134.8 155.68 50.19 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.038 1.735 . . . . 10.0 110.465 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -84.6 -1.76 56.44 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.071 1.138 . . . . 10.0 114.071 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -148.28 158.48 44.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.174 1.79 . . . . 10.0 110.337 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.109 1.363 . . . . 10.0 111.994 -170.376 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.256 -0.275 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -143.42 160.94 39.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.198 1.399 . . . . 10.0 111.759 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -62.67 152.27 82.01 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.736 0.814 . . . . 10.0 112.986 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.56 152.53 33.28 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 123.319 2.679 . . . . 10.0 112.659 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.07 159.71 51.48 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.15 2.567 . . . . 10.0 113.089 176.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.7 p -84.23 160.31 57.55 Favored Pre-proline 0 N--CA 1.469 0.485 0 C-N-CA 123.327 0.651 . . . . 10.0 110.101 168.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -54.26 -28.26 51.56 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.568 3.512 . . . . 10.0 114.501 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.08 -15.28 63.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.342 1.457 . . . . 10.0 113.903 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -118.68 -31.91 4.71 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.141 1.776 . . . . 10.0 112.127 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.72 58.27 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.265 1.426 . . . . 10.0 113.944 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.04 -30.31 25.06 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.928 1.691 . . . . 10.0 115.107 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -57.0 -23.71 48.15 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.15 1.38 . . . . 10.0 114.19 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.71 -18.47 62.8 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.938 -1.101 . . . . 10.0 113.445 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -140.24 16.87 2.42 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.733 1.213 . . . . 10.0 114.211 -173.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.9 p -68.41 47.91 0.06 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.961 2.504 . . . . 10.0 115.192 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.19 -39.21 0.02 OUTLIER Glycine 0 CA--C 1.533 1.166 0 C-N-CA 127.038 2.256 . . . . 10.0 112.192 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -69.27 -26.18 64.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.559 1.143 . . . . 10.0 113.948 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.8 mt -113.73 -8.74 13.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.066 1.346 . . . . 10.0 113.696 -177.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 m -57.21 -22.33 39.99 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.619 1.568 . . . . 10.0 114.197 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.28 -26.91 7.09 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.655 1.598 . . . . 10.0 115.2 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.2 tp -51.01 -28.67 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.644 1.578 . . . . 10.0 113.62 172.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.21 54.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.596 1.569 . . . . 10.0 115.417 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -91.33 -16.99 26.62 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -14.89 63.01 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.308 1.225 . . . . 10.0 114.308 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.28 -0.6 8.33 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -131.59 -64.59 0.79 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.715 2.006 . . . . 10.0 110.97 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.48 -24.73 67.95 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.22 1.008 . . . . 10.0 113.033 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.78 1.77 68.9 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.374 1.464 . . . . 10.0 114.212 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -125.22 -20.27 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.521 1.16 . . . . 10.0 112.84 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -53.39 -32.7 50.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.852 0.861 . . . . 10.0 110.344 168.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.59 -42.18 43.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.344 2.658 . . . . 10.0 114.72 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -43.67 85.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.897 1.279 . . . . 10.0 110.413 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -66.78 -40.04 88.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.192 0.597 . . . . 10.0 111.752 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.27 -42.06 99.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.035 0.934 . . . . 10.0 111.949 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.77 -41.24 95.11 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.117 0.967 . . . . 10.0 112.077 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -73.18 -39.3 65.72 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -67.71 -34.55 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.418 0.554 . . . . 10.0 111.815 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -37.33 85.16 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.29 -0.881 . . . . 10.0 112.058 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.99 83.4 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.585 -0.697 . . . . 10.0 110.506 170.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.95 -26.52 67.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.516 1.527 . . . . 10.0 112.609 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -36.96 34.95 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.15 -33.78 76.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.041 1.291 . . . . 10.0 108.713 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 tp -70.25 -35.85 74.09 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 124.212 1.005 . . . . 10.0 111.833 169.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -64.12 -38.72 92.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 119.39 -2.069 . . . . 10.0 111.036 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -61.82 -31.73 71.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.159 0.984 . . . . 10.0 112.908 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -151.36 90.09 4.09 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.573 1.549 . . . . 10.0 112.215 170.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -49.22 -24.09 7.67 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.573 3.515 . . . . 10.0 118.445 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -130.14 27.89 5.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 116.167 1.914 . . . . 10.0 116.167 171.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.58 124.54 76.25 Favored Pre-proline 0 N--CA 1.468 0.449 0 N-CA-C 105.94 -1.874 . . . . 10.0 105.94 167.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 -27.42 25.48 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.598 1.532 . . . . 10.0 115.65 -168.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.33 -40.96 42.28 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.11 1.323 . . . . 10.0 110.788 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.6 75.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 119.442 1.019 . . . . 10.0 111.76 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 -36.54 41.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.935 0.894 . . . . 10.0 111.112 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.031 0.933 . . . . 10.0 111.246 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -66.08 -53.52 37.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.45 1.5 . . . . 10.0 110.928 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.29 -44.84 72.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 118.248 -0.882 . . . . 10.0 112.777 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -64.18 -41.01 97.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.181 1.355 . . . . 10.0 112.714 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 ttp -66.34 -46.2 77.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.172 0.989 . . . . 10.0 112.41 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.5 mt -70.52 -35.7 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.793 0.837 . . . . 10.0 110.009 178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttm -69.14 -35.22 76.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.928 0.785 . . . . 10.0 112.868 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -58.71 -40.73 84.55 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.075 0.95 . . . . 10.0 111.464 170.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.45 -45.18 63.3 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.584 0.753 . . . . 10.0 112.666 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.25 -46.67 79.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.874 1.27 . . . . 10.0 112.653 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.54 -38.16 86.55 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.994 0.518 . . . . 10.0 111.705 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.83 -47.48 77.85 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.083 1.353 . . . . 10.0 111.644 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.18 -38.11 89.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.659 0.784 . . . . 10.0 112.852 171.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.91 -41.66 98.17 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.043 0.838 . . . . 10.0 112.875 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.64 87.8 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -63.7 -40.74 97.53 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.689 0.795 . . . . 10.0 112.267 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.1 m -60.52 -35.94 77.19 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.047 0.939 . . . . 10.0 112.601 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.5 m -65.17 -23.71 67.18 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.42 -32.71 16.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.962 0.905 . . . . 10.0 112.873 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.5 -33.03 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.142 1.377 . . . . 10.0 112.011 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -51.35 -21.91 2.54 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.539 1.536 . . . . 10.0 114.949 170.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.0 m -124.04 -35.69 2.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 10.0 112.766 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.14 -23.28 66.48 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.304 -0.872 . . . . 10.0 113.125 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -53.7 -31.68 48.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.85 1.056 . . . . 10.0 113.85 170.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 -29.79 68.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.536 1.134 . . . . 10.0 112.528 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mm -85.17 -42.59 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.157 1.383 . . . . 10.0 110.602 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.81 -40.93 70.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.145 1.378 . . . . 10.0 112.611 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.8 m -59.82 -8.05 1.96 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.002 1.721 . . . . 10.0 114.915 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -122.63 8.44 9.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.2 1.8 . . . . 10.0 113.325 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.8 tt -139.72 -16.79 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.709 1.204 . . . . 10.0 113.919 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.4 tp -141.7 165.19 28.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.858 1.663 . . . . 10.0 110.566 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.97 10.86 5.51 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.731 1.382 . . . . 10.0 114.731 -170.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 30.72 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.028 1.731 . . . . 10.0 115.38 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -52.06 142.86 15.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.284 1.834 . . . . 10.0 113.448 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -152.57 161.52 42.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.643 1.577 . . . . 10.0 110.957 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -135.84 12.4 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -169.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.56 146.73 44.09 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.269 -0.894 . . . . 10.0 112.084 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.616 1.567 . . . . 10.0 111.256 -175.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.378 -0.23 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -153.12 147.89 26.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.421 1.088 . . . . 10.0 111.104 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -158.72 156.42 26.95 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 10.0 110.965 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -81.46 162.55 19.51 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.153 2.568 . . . . 10.0 111.752 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.63 172.76 1.36 Allowed 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 124.183 3.255 . . . . 10.0 113.246 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -133.25 157.67 77.62 Favored Pre-proline 0 N--CA 1.481 1.111 0 C-N-CA 124.908 1.283 . . . . 10.0 112.142 174.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.68 138.82 32.32 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 124.924 3.75 . . . . 10.0 115.249 -173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.23 59.26 1.74 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 10.0 111.946 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.56 -32.01 68.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.062 0.945 . . . . 10.0 111.72 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.74 161.37 34.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.878 2.471 . . . . 10.0 108.815 169.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.03 -8.6 5.52 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.324 1.601 . . . . 10.0 115.324 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -125.46 -17.81 5.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.827 1.651 . . . . 10.0 113.808 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.57 -36.89 85.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.227 -1.545 . . . . 10.0 112.852 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -7.08 40.84 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.791 1.636 . . . . 10.0 115.374 175.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.4 p -59.04 -25.07 63.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -23.47 53.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.978 1.275 . . . . 10.0 115.296 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -119.74 -30.35 4.8 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.424 1.49 . . . . 10.0 112.944 -174.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.45 -24.12 59.0 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.57 -0.729 . . . . 10.0 112.407 169.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -0.03 -53.17 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.312 1 C-N-CA 132.916 4.486 . . . . 10.0 119.735 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.35 -43.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.844 2.164 . . . . 10.0 110.787 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.04 -52.38 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.257 1.423 . . . . 10.0 112.06 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.23 -43.6 10.48 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 123.331 0.491 . . . . 10.0 113.192 -170.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -61.45 -21.64 64.33 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.08 1.141 . . . . 10.0 114.08 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.57 56.36 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.631 1.715 . . . . 10.0 115.631 -173.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -103.65 13.8 32.46 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.679 1.191 . . . . 10.0 111.247 169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -143.84 -9.73 0.7 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.241 1.817 . . . . 10.0 114.966 -168.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.71 -17.37 62.92 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 -169.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.72 6.6 54.93 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.438 1.494 . . . . 10.0 114.466 171.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.94 -15.12 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.036 1.734 . . . . 10.0 112.744 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -51.81 -22.07 3.37 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.384 1.474 . . . . 10.0 113.622 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.49 -41.41 63.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 10.0 112.891 169.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -38.86 79.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.411 1.084 . . . . 10.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.5 -38.62 87.98 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.531 -0.731 . . . . 10.0 111.546 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.44 -37.19 80.03 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.692 0.678 . . . . 10.0 112.808 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.47 -43.05 93.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.773 0.715 . . . . 10.0 111.198 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -70.49 -37.44 74.2 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -66.63 -34.71 78.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.737 0.815 . . . . 10.0 111.54 172.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.8 -39.35 93.45 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.431 -0.793 . . . . 10.0 111.664 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.06 -47.01 88.34 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.688 -0.632 . . . . 10.0 111.617 170.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.42 -25.95 68.24 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.465 1.906 . . . . 10.0 111.964 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -37.24 34.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 169.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.79 -35.91 81.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.171 1.35 . . . . 10.0 108.455 168.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 tp -69.03 -36.77 78.12 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.145 0.978 . . . . 10.0 112.223 169.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 m -63.68 -37.95 89.28 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 119.418 -2.051 . . . . 10.0 111.144 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.98 -33.62 73.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.477 1.111 . . . . 10.0 112.886 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -152.25 92.0 3.56 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 125.462 1.505 . . . . 10.0 111.866 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -48.63 -24.16 6.32 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.896 3.731 . . . . 10.0 118.357 -169.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.8 p -130.75 27.61 4.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 116.233 1.938 . . . . 10.0 116.233 171.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.15 127.03 85.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 106.241 -1.763 . . . . 10.0 106.241 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.53 -27.88 18.3 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 N-CA-C 115.636 1.36 . . . . 10.0 115.636 -168.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -73.67 -42.47 61.28 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.264 1.393 . . . . 10.0 110.639 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.6 79.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.475 1.034 . . . . 10.0 111.986 172.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -35.64 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.845 0.858 . . . . 10.0 110.933 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.01 97.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.085 0.954 . . . . 10.0 111.032 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.78 -53.51 39.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.523 1.529 . . . . 10.0 110.918 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -54.59 -44.56 73.15 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.144 -0.932 . . . . 10.0 112.668 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -65.01 -40.46 94.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.329 1.422 . . . . 10.0 112.684 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -66.3 -45.99 78.47 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.633 1.173 . . . . 10.0 112.357 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.9 mt -70.0 -35.81 65.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 123.86 0.864 . . . . 10.0 110.186 176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.8 ttm -68.01 -33.78 75.24 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.463 -0.773 . . . . 10.0 112.859 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -58.96 -42.53 90.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.978 0.911 . . . . 10.0 111.397 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.59 -43.51 72.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.903 . . . . 10.0 112.83 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -61.91 -43.29 99.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.102 1.361 . . . . 10.0 113.311 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.4 -33.32 74.95 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 111.676 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.72 -45.38 86.78 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.232 1.013 . . . . 10.0 112.433 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.51 -37.33 84.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.068 0.547 . . . . 10.0 112.351 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -44.36 94.37 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.646 0.778 . . . . 10.0 111.955 170.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -63.43 -39.29 94.1 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.415 1.086 . . . . 10.0 112.935 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.35 84.79 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.481 0.548 . . . . 10.0 112.481 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -62.93 -43.53 98.56 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.731 0.812 . . . . 10.0 111.708 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -63.15 -37.51 87.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.951 0.9 . . . . 10.0 112.413 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.1 m -64.97 -40.11 94.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.788 0.835 . . . . 10.0 112.108 174.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.49 97.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.675 -0.641 . . . . 10.0 112.565 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.8 -41.06 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.96 1.304 . . . . 10.0 111.666 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -61.1 -39.22 89.15 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.019 0.928 . . . . 10.0 112.27 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.1 m -66.73 -41.26 88.18 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.413 0.685 . . . . 10.0 112.627 170.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.1 ttt -62.78 -31.22 72.15 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.293 -0.879 . . . . 10.0 113.0 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.9 -28.65 67.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.22 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.532 -0.73 . . . . 10.0 112.785 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -75.12 -46.4 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.341 1.056 . . . . 10.0 109.929 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.18 -29.22 67.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.773 1.229 . . . . 10.0 113.466 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -56.14 -22.4 28.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.226 1.41 . . . . 10.0 114.018 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -78.08 3.47 14.86 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.334 . . . . 10.0 114.603 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.72 141.49 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.632 1.173 . . . . 10.0 113.154 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.16 -16.98 61.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.938 1.295 . . . . 10.0 114.293 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.5 158.33 36.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.561 1.144 . . . . 10.0 113.404 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -64.14 161.02 17.06 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.193 0.997 . . . . 10.0 112.635 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -146.57 157.38 43.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.299 1.44 . . . . 10.0 111.793 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -73.67 159.33 33.19 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.078 0.951 . . . . 10.0 112.381 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.16 -21.77 24.78 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.131 1.772 . . . . 10.0 115.199 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -56.81 -34.49 67.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.065 1.346 . . . . 10.0 113.462 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.864 1.666 . . . . 10.0 111.728 -169.456 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 110.533 -0.173 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 p -67.45 -15.8 63.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -143.77 156.83 59.18 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.929 1.692 . . . . 10.0 111.143 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -76.08 160.75 36.33 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.959 2.439 . . . . 10.0 111.4 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.46 -22.54 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.162 2.575 . . . . 10.0 113.541 172.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -79.87 158.44 72.81 Favored Pre-proline 0 N--CA 1.471 0.603 0 C-N-CA 124.456 1.102 . . . . 10.0 113.855 -171.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.65 153.92 39.81 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.641 3.561 . . . . 10.0 113.381 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.61 -42.04 91.72 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.265 1.026 . . . . 10.0 112.092 170.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -146.2 110.87 5.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.735 1.614 . . . . 10.0 109.882 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.87 69.56 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.54 -7.37 25.45 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.983 1.313 . . . . 10.0 114.014 173.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -142.02 28.46 1.72 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.099 1.76 . . . . 10.0 111.54 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -46.64 -37.76 8.7 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.319 2.248 . . . . 10.0 115.754 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -56.68 -19.04 14.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.175 1.79 . . . . 10.0 115.01 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 m -125.9 -21.75 4.3 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.19 1.396 . . . . 10.0 112.215 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.85 -33.69 60.4 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.741 1.638 . . . . 10.0 114.883 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -64.88 -18.86 65.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.744 1.387 . . . . 10.0 114.744 172.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.65 34.31 2.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.553 1.541 . . . . 10.0 112.814 -171.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -50.82 -29.86 12.78 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 127.137 2.175 . . . . 10.0 114.746 171.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.6 -39.06 0.54 Allowed Glycine 0 CA--C 1.533 1.217 0 C-N-CA 126.829 2.157 . . . . 10.0 111.191 -171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.48 -40.44 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.5 1.52 . . . . 10.0 110.963 169.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -29.4 56.6 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.773 1.654 . . . . 10.0 115.673 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -98.25 -20.82 17.02 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.602 1.961 . . . . 10.0 113.026 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -19.99 29.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.73 -21.58 65.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -79.08 -6.2 55.88 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.449 1.5 . . . . 10.0 113.494 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.68 -22.73 36.86 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.014 1.726 . . . . 10.0 114.343 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.97 -0.35 89.66 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-O 118.731 -1.039 . . . . 10.0 115.255 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -2.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 119.271 1.536 . . . . 10.0 113.232 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -53.63 -28.68 34.18 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.187 -0.945 . . . . 10.0 113.09 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.17 -43.86 92.15 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.061 1.745 . . . . 10.0 113.734 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -34.19 38.33 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.649 1.18 . . . . 10.0 111.106 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.0 -35.82 79.67 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.339 -0.851 . . . . 10.0 112.192 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -69.32 -38.48 78.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.046 0.938 . . . . 10.0 112.326 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.497 0.719 . . . . 10.0 111.949 170.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -71.04 -37.15 72.55 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.846 0.859 . . . . 10.0 113.137 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -65.18 -36.55 84.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.604 0.762 . . . . 10.0 111.703 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.53 -38.3 90.53 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.54 -0.725 . . . . 10.0 111.817 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.92 -46.56 90.18 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.782 -0.574 . . . . 10.0 111.56 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.4 -23.43 66.31 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.155 1.382 . . . . 10.0 112.264 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -37.41 32.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.946 1.248 . . . . 10.0 113.977 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -62.52 -36.16 81.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.106 1.321 . . . . 10.0 108.348 168.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.92 -35.79 77.23 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.635 0.774 . . . . 10.0 112.305 169.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 m -64.94 -38.43 90.95 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 119.429 -2.044 . . . . 10.0 111.047 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.52 -33.69 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.539 1.136 . . . . 10.0 112.668 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.76 92.63 3.6 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.324 1.45 . . . . 10.0 112.305 169.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.45 -24.06 8.39 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 124.681 3.587 . . . . 10.0 118.156 -169.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.5 p -130.41 27.97 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 116.2 1.926 . . . . 10.0 116.2 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 126.61 85.6 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 106.277 -1.749 . . . . 10.0 106.277 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.66 -29.93 18.84 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 121.315 1.343 . . . . 10.0 115.582 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.14 -42.62 65.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.346 1.43 . . . . 10.0 110.886 170.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.76 78.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 119.5 1.045 . . . . 10.0 111.968 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -35.15 39.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.925 0.89 . . . . 10.0 111.125 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.38 98.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.301 1.041 . . . . 10.0 110.933 169.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -65.69 -53.57 39.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.373 1.469 . . . . 10.0 110.843 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.02 -44.98 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.061 -0.971 . . . . 10.0 112.772 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -64.57 -40.58 95.81 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.304 1.411 . . . . 10.0 112.686 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.2 ttp -65.23 -49.71 68.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.258 1.023 . . . . 10.0 111.918 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.37 -33.95 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.003 0.921 . . . . 10.0 110.163 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.7 ttm -70.17 -38.64 75.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.116 0.871 . . . . 10.0 112.992 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 t -57.27 -44.3 83.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.319 1.048 . . . . 10.0 110.908 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.09 -49.68 66.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 171.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -53.87 -48.58 69.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.453 1.501 . . . . 10.0 112.713 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.01 -39.96 54.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.602 0.361 . . . . 10.0 111.878 -171.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.25 -45.69 46.35 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.208 1.003 . . . . 10.0 112.304 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.73 -20.05 61.96 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.184 0.994 . . . . 10.0 113.474 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -47.05 -47.94 22.44 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.315 1.446 . . . . 10.0 112.909 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -66.41 -45.67 79.19 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.031 1.332 . . . . 10.0 112.81 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.9 66.73 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -175.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -59.93 -37.96 81.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 10.0 112.396 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -59.12 -24.04 62.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -98.64 -38.13 9.25 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.454 1.102 . . . . 10.0 112.505 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.1 73.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.157 0.983 . . . . 10.0 113.578 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 t -57.01 -32.55 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.409 1.484 . . . . 10.0 112.716 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.52 -18.01 63.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.528 1.131 . . . . 10.0 113.826 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 m -136.75 20.1 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.403 1.481 . . . . 10.0 113.277 -169.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 ptp -55.45 -34.28 64.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -169.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -37.61 64.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.101 0.864 . . . . 10.0 112.13 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.87 -38.48 88.91 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.492 -0.755 . . . . 10.0 111.577 173.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.39 -48.78 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.081 0.952 . . . . 10.0 110.895 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.39 -34.62 69.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 10.0 112.975 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 m -69.88 -8.72 50.99 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -138.54 17.03 2.72 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.449 1.5 . . . . 10.0 113.995 -170.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 tt -126.78 13.48 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 125.612 1.565 . . . . 10.0 112.527 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.54 159.26 13.35 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.677 1.591 . . . . 10.0 112.795 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -138.48 171.54 14.22 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.586 1.554 . . . . 10.0 111.551 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -132.92 166.35 22.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.839 1.656 . . . . 10.0 111.3 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.46 153.71 42.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.387 1.475 . . . . 10.0 111.74 178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -132.31 13.71 4.61 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.688 1.195 . . . . 10.0 113.233 -170.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -61.18 150.0 35.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.951 1.3 . . . . 10.0 112.603 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.31 153.21 34.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.341 1.456 . . . . 10.0 111.796 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.633 1.573 . . . . 10.0 111.601 -176.466 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 121.174 0.512 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -62.08 -38.87 90.47 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.536 -0.728 . . . . 10.0 111.877 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.75 -43.74 95.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.95 1.3 . . . . 10.0 111.729 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.26 -39.85 88.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.165 0.586 . . . . 10.0 112.21 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.13 -38.89 66.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.705 0.802 . . . . 10.0 113.038 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -65.91 -34.57 78.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.604 0.638 . . . . 10.0 111.404 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.72 -38.42 90.92 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.46 -0.775 . . . . 10.0 111.924 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.92 88.08 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.395 -0.816 . . . . 10.0 111.164 169.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.18 -25.03 67.55 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.72 1.608 . . . . 10.0 112.463 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -37.6 32.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -63.31 -32.98 74.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.757 1.162 . . . . 10.0 108.581 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.64 -38.45 73.86 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 124.635 1.174 . . . . 10.0 111.984 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -61.77 -37.6 84.89 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 119.812 -1.805 . . . . 10.0 111.182 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.23 -31.53 71.31 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -152.71 86.8 4.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.567 1.547 . . . . 10.0 111.576 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -45.42 -27.64 3.43 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.769 3.646 . . . . 10.0 119.231 -169.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -127.65 29.67 5.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.509 1.67 . . . . 10.0 115.509 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.18 124.1 78.84 Favored Pre-proline 0 N--CA 1.47 0.551 0 N-CA-C 105.252 -2.129 . . . . 10.0 105.252 167.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.25 -26.32 25.41 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.572 1.515 . . . . 10.0 115.664 -168.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.59 -40.88 40.69 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.042 1.292 . . . . 10.0 110.8 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.9 77.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.541 1.064 . . . . 10.0 111.803 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -35.17 40.88 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 123.905 0.882 . . . . 10.0 110.927 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.37 98.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.842 0.857 . . . . 10.0 111.003 169.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.14 -53.6 42.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.553 1.541 . . . . 10.0 110.859 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -55.38 -45.31 76.59 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.027 -0.987 . . . . 10.0 112.637 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -65.97 -37.23 85.44 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 120.481 1.491 . . . . 10.0 112.863 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.8 ttp -68.2 -49.0 63.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.459 1.104 . . . . 10.0 112.27 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.55 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -66.23 -34.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.559 0.744 . . . . 10.0 109.699 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.9 ttm -68.53 -35.3 77.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.86 0.754 . . . . 10.0 112.963 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -60.53 -42.77 97.17 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.645 0.778 . . . . 10.0 111.159 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.05 -42.15 73.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.289 0.848 . . . . 10.0 113.289 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.12 -52.62 63.68 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.548 1.539 . . . . 10.0 111.3 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 122.507 0.323 . . . . 10.0 111.406 -174.697 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.64 -18.87 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.353 1.461 . . . . 10.0 113.785 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -117.95 7.1 12.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.723 1.609 . . . . 10.0 113.39 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -31.32 65.01 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.77 -31.67 72.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.476 1.11 . . . . 10.0 113.223 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.32 -42.61 18.54 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.338 1.055 . . . . 10.0 111.307 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.35 -32.15 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.574 1.149 . . . . 10.0 111.926 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -61.41 -14.69 30.07 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.473 1.286 . . . . 10.0 114.473 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -126.41 -20.22 4.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.96 1.704 . . . . 10.0 113.452 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 127.353 2.261 . . . . 10.0 110.648 -175.336 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 121.348 0.594 . . . . 10.0 111.334 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -37.02 83.74 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.472 -0.767 . . . . 10.0 111.71 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.79 -42.04 86.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.487 1.115 . . . . 10.0 111.968 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.39 -40.21 85.84 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.672 0.789 . . . . 10.0 111.816 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.7 tp -71.26 -41.64 69.82 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.36 -32.53 74.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.359 0.527 . . . . 10.0 111.695 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.83 -40.35 83.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.387 -0.821 . . . . 10.0 112.124 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -57.64 -45.74 85.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.67 0.668 . . . . 10.0 111.01 171.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -29.0 70.11 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 125.819 1.648 . . . . 10.0 111.977 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.13 -34.11 38.03 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 120.028 1.286 . . . . 10.0 114.416 169.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.36 -35.04 77.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.938 1.245 . . . . 10.0 108.167 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.83 -36.02 72.71 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 125.469 1.507 . . . . 10.0 112.737 169.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -63.17 -38.05 89.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 119.503 -1.998 . . . . 10.0 110.801 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.88 -32.9 72.33 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -151.53 90.63 3.96 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.465 1.506 . . . . 10.0 111.932 170.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -48.6 -25.86 8.41 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 124.774 3.649 . . . . 10.0 118.088 -169.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 p -129.24 29.26 5.16 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.032 1.864 . . . . 10.0 116.032 171.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.17 124.8 82.04 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 105.541 -2.022 . . . . 10.0 105.541 167.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.71 -26.4 27.85 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.711 1.607 . . . . 10.0 115.546 -168.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 m -78.67 -40.19 34.67 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.987 1.267 . . . . 10.0 110.988 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.01 79.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.498 1.044 . . . . 10.0 111.622 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -35.66 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.925 0.89 . . . . 10.0 110.945 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.94 97.11 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 10.0 111.21 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.14 -54.52 28.5 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.301 1.44 . . . . 10.0 110.794 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -53.83 -44.22 70.08 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.182 -0.913 . . . . 10.0 112.874 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -65.19 -39.7 93.2 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.356 1.435 . . . . 10.0 112.735 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.97 -46.21 75.34 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.466 1.106 . . . . 10.0 112.342 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -70.56 -36.07 64.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.93 0.892 . . . . 10.0 109.886 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -69.91 -32.72 71.18 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.409 -0.807 . . . . 10.0 112.814 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -59.65 -35.95 75.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.971 0.908 . . . . 10.0 111.826 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.72 -41.81 36.53 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.023 0.929 . . . . 10.0 112.699 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -64.23 -43.45 94.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.892 1.277 . . . . 10.0 113.45 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 123.469 0.707 . . . . 10.0 111.259 -176.445 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 111.413 0.153 . . . . 10.0 111.413 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.84 -27.71 60.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.036 0.934 . . . . 10.0 112.82 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -58.77 -31.42 68.36 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.027 0.931 . . . . 10.0 113.381 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.7 tpt -60.91 -26.05 67.18 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -28.55 69.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.892 0.877 . . . . 10.0 113.078 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.65 -38.69 58.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.522 0.729 . . . . 10.0 112.08 171.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.04 -36.26 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.524 1.129 . . . . 10.0 111.786 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.15 -21.81 35.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.644 1.178 . . . . 10.0 113.808 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -58.38 -21.22 49.44 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.349 1.06 . . . . 10.0 113.613 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 114.778 1.399 . . . . 10.0 114.778 174.264 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 121.209 0.528 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -62.05 -36.08 80.56 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.547 -0.72 . . . . 10.0 111.916 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -64.04 -41.97 97.21 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.379 1.472 . . . . 10.0 111.934 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.98 -41.07 95.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 10.0 111.747 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.5 tp -72.35 -37.47 68.83 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.49 -33.16 74.54 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.516 0.727 . . . . 10.0 111.91 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.98 -42.63 97.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.919 0.782 . . . . 10.0 110.522 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.22 85.65 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 122.103 -0.373 . . . . 10.0 111.398 172.532 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.63 -25.89 65.96 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.99 1.316 . . . . 10.0 112.501 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.57 34.84 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 169.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.7 -33.5 75.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.497 1.044 . . . . 10.0 108.511 169.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.73 -36.12 70.37 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 125.058 1.343 . . . . 10.0 111.875 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -62.97 -38.23 90.29 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 119.512 -1.993 . . . . 10.0 111.032 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.31 -32.24 72.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.742 0.817 . . . . 10.0 113.156 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -151.23 89.89 4.16 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.474 1.51 . . . . 10.0 111.984 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -48.79 -24.37 6.9 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.693 3.595 . . . . 10.0 118.379 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -129.96 28.2 5.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 116.109 1.892 . . . . 10.0 116.109 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.3 70.08 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 105.434 -2.061 . . . . 10.0 105.434 167.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.54 -26.53 28.52 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 121.674 1.582 . . . . 10.0 115.17 -168.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -40.9 41.25 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.857 1.208 . . . . 10.0 110.917 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.75 79.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 119.653 1.115 . . . . 10.0 111.875 170.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -36.01 40.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.021 0.928 . . . . 10.0 110.791 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.67 97.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.788 0.835 . . . . 10.0 110.791 169.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.23 -53.92 37.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.512 1.525 . . . . 10.0 111.041 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.94 -44.32 78.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.892 -1.051 . . . . 10.0 112.491 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.03 -39.81 93.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.645 1.566 . . . . 10.0 112.835 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.53 -46.78 71.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.824 1.25 . . . . 10.0 112.296 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 39' ' ' ALA . 94.6 mt -68.64 -35.36 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.87 0.868 . . . . 10.0 110.059 175.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 38.1 ttm -69.15 -33.84 74.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 118.805 0.729 . . . . 10.0 112.761 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -58.57 -47.46 84.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.548 0.739 . . . . 10.0 110.603 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.24 -42.85 92.96 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.75 -49.35 78.07 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.505 1.122 . . . . 10.0 111.911 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 123.115 0.566 . . . . 10.0 111.29 -175.829 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 119.06 -0.495 . . . . 10.0 111.61 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -68.04 -32.32 72.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.486 1.039 . . . . 10.0 113.365 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -107.4 11.49 28.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.32 . . . . 10.0 113.525 -171.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -52.49 -34.78 50.93 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.204 1.365 . . . . 10.0 113.911 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -59.91 -12.46 7.78 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.041 2.136 . . . . 10.0 115.487 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.08 17.08 6.15 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.53 2.332 . . . . 10.0 111.583 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.71 -41.7 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.554 1.942 . . . . 10.0 109.667 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.59 -24.81 64.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.241 -0.912 . . . . 10.0 112.7 171.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -80.33 -9.82 59.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.236 1.814 . . . . 10.0 114.934 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -169.853 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.547 0.689 . . . . 10.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.05 -37.21 81.81 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.673 -0.642 . . . . 10.0 111.7 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.36 -37.54 77.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.76 . . . . 10.0 112.899 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.48 -41.41 94.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.859 0.864 . . . . 10.0 111.475 170.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -69.96 -37.95 75.97 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -64.58 -35.55 81.36 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.52 0.6 . . . . 10.0 111.803 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.26 -38.22 87.33 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.412 -0.805 . . . . 10.0 111.985 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.8 88.49 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.346 -0.846 . . . . 10.0 111.125 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.02 -25.68 67.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 125.466 1.506 . . . . 10.0 112.364 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -37.22 34.08 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 169.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -62.86 -34.46 77.42 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.8 1.182 . . . . 10.0 108.579 168.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.75 -35.66 72.75 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 124.699 1.199 . . . . 10.0 112.241 169.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -64.29 -38.28 90.48 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 119.38 -2.075 . . . . 10.0 110.999 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -32.93 72.58 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.877 0.871 . . . . 10.0 113.015 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -150.86 90.28 4.21 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.513 1.525 . . . . 10.0 112.308 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -48.94 -24.18 6.96 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 124.742 3.628 . . . . 10.0 118.33 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.7 p -130.17 27.89 5.06 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 116.221 1.934 . . . . 10.0 116.221 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.69 124.9 78.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 106.006 -1.85 . . . . 10.0 106.006 167.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.87 -27.83 25.44 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 121.515 1.477 . . . . 10.0 115.537 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -75.2 -42.46 55.61 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.141 1.337 . . . . 10.0 110.975 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 119.555 1.071 . . . . 10.0 111.793 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -36.39 40.59 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.885 0.874 . . . . 10.0 110.869 -177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.53 96.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.067 0.947 . . . . 10.0 111.165 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.77 -53.78 35.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.606 1.562 . . . . 10.0 110.893 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.39 -44.99 72.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.11 -0.948 . . . . 10.0 112.678 171.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -64.93 -39.31 93.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.274 1.397 . . . . 10.0 112.739 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 67.2 ttp -68.08 -46.06 72.08 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.548 1.139 . . . . 10.0 112.65 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -68.24 -35.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 123.922 0.889 . . . . 10.0 109.796 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.7 ttm -68.28 -34.89 76.99 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.457 -0.777 . . . . 10.0 113.054 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.7 m -61.15 -33.76 73.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.18 0.992 . . . . 10.0 112.089 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.16 -42.37 31.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.635 0.774 . . . . 10.0 112.679 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.36 -47.43 81.65 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.451 1.5 . . . . 10.0 112.39 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -171.497 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 118.398 -0.81 . . . . 10.0 112.189 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -54.51 -41.42 69.62 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.025 1.284 . . . . 10.0 112.671 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 m -72.97 -9.53 58.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.015 1.326 . . . . 10.0 114.561 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 tpt -112.47 -39.2 4.44 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.906 1.282 . . . . 10.0 112.312 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.01 -33.78 69.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.986 1.314 . . . . 10.0 112.621 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.29 -24.26 58.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.722 1.209 . . . . 10.0 113.887 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mm -98.99 -45.15 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.29 1.436 . . . . 10.0 110.805 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.13 -27.77 67.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.041 1.337 . . . . 10.0 113.548 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.2 t -51.64 -26.88 9.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.432 1.493 . . . . 10.0 113.828 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 124.994 1.317 . . . . 10.0 114.141 173.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.713 0.768 . . . . 10.0 110.72 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -65.48 -33.96 77.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.36 -0.838 . . . . 10.0 112.295 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.13 -39.33 89.79 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.842 0.857 . . . . 10.0 112.505 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.5 -40.7 87.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.916 0.886 . . . . 10.0 111.355 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.33 -38.05 71.7 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.66 0.784 . . . . 10.0 112.879 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.94 -32.93 74.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.547 0.612 . . . . 10.0 112.188 170.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.98 -36.97 83.37 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.206 -0.934 . . . . 10.0 111.837 169.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.46 -47.13 87.46 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.332 -0.855 . . . . 10.0 110.811 169.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.92 -24.97 67.69 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.436 1.494 . . . . 10.0 112.31 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.39 -37.33 32.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -63.6 -33.55 75.86 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.723 1.147 . . . . 10.0 108.607 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.8 -37.36 73.26 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 124.729 1.212 . . . . 10.0 112.005 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -62.81 -38.0 88.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.779 -1.826 . . . . 10.0 111.032 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -59.87 -34.07 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -151.24 86.49 4.78 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.315 1.446 . . . . 10.0 111.59 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -47.06 -23.52 2.77 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.89 3.727 . . . . 10.0 119.439 -169.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -130.07 31.05 4.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 124.4 82.0 Favored Pre-proline 0 N--CA 1.47 0.538 0 N-CA-C 105.445 -2.057 . . . . 10.0 105.445 167.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.98 -25.46 27.55 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.695 1.597 . . . . 10.0 115.363 -168.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 m -78.72 -41.07 31.9 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.883 1.22 . . . . 10.0 110.858 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.7 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.465 1.03 . . . . 10.0 111.765 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -35.15 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.213 1.005 . . . . 10.0 110.806 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.43 98.46 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.873 0.869 . . . . 10.0 110.79 169.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.68 -53.5 40.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.624 1.57 . . . . 10.0 110.949 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.39 -46.01 73.01 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.909 -1.043 . . . . 10.0 112.442 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -64.61 -39.79 94.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.527 1.512 . . . . 10.0 112.693 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.87 -47.3 75.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.694 1.198 . . . . 10.0 112.575 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.8 mt -69.08 -35.52 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.738 0.815 . . . . 10.0 109.748 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.0 ttm -68.39 -33.95 75.17 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -59.72 -45.66 91.48 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.861 0.755 . . . . 10.0 110.93 169.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.5 -44.81 89.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.29 0.636 . . . . 10.0 112.564 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.6 -48.2 82.82 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.42 1.088 . . . . 10.0 112.534 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 123.477 0.711 . . . . 10.0 110.903 -175.507 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.94 -22.86 67.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.1 1.36 . . . . 10.0 114.31 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -118.52 11.95 13.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.938 1.695 . . . . 10.0 113.014 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.18 -38.37 57.59 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.383 1.073 . . . . 10.0 113.606 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.35 -23.24 66.94 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.027 1.331 . . . . 10.0 114.078 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -87.84 -41.29 13.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.562 1.145 . . . . 10.0 111.459 172.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -34.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.029 0.932 . . . . 10.0 111.848 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.84 -16.82 19.06 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.3 1.44 . . . . 10.0 114.814 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.5 m -125.49 -8.39 6.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.811 1.644 . . . . 10.0 113.836 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 10.0 111.159 -173.27 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.697 0.76 . . . . 10.0 111.072 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.697 0.76 . . . . 10.0 111.072 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.027 0.442 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.17 -38.03 89.56 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.661 -0.649 . . . . 10.0 111.599 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.01 -41.64 90.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.743 1.217 . . . . 10.0 112.313 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.0 -41.3 96.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.639 0.776 . . . . 10.0 112.054 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.43 -36.97 68.7 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.28 1.032 . . . . 10.0 113.047 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.23 -34.01 77.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.294 0.638 . . . . 10.0 111.616 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.25 -36.57 81.89 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.405 -0.809 . . . . 10.0 111.761 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.38 89.91 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.53 -0.732 . . . . 10.0 110.657 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.25 -24.67 66.63 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.385 1.474 . . . . 10.0 112.39 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -38.18 32.38 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.947 1.249 . . . . 10.0 113.803 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.85 -32.47 73.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.89 1.223 . . . . 10.0 109.107 169.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.61 -36.63 68.12 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.54 1.136 . . . . 10.0 111.867 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -63.14 -37.91 89.11 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 119.373 -2.079 . . . . 10.0 111.091 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -61.28 -32.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.513 1.125 . . . . 10.0 112.598 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -152.39 91.22 3.62 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.859 1.664 . . . . 10.0 112.049 169.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -48.69 -24.28 6.59 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 124.73 3.62 . . . . 10.0 118.35 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -130.15 27.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.73 124.55 76.74 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 105.55 -2.019 . . . . 10.0 105.55 167.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.16 -27.08 25.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 121.548 1.499 . . . . 10.0 115.229 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 m -76.49 -40.77 49.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.816 1.189 . . . . 10.0 110.961 170.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.49 80.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 119.498 1.044 . . . . 10.0 111.885 170.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -35.33 44.05 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.919 0.888 . . . . 10.0 110.779 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.67 98.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.022 0.929 . . . . 10.0 110.963 169.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -64.92 -54.09 36.19 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.458 1.503 . . . . 10.0 110.986 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -55.33 -44.41 75.85 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.8 171.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -66.54 -37.96 86.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.282 1.401 . . . . 10.0 112.783 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.0 ttp -66.21 -48.61 70.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.533 1.133 . . . . 10.0 112.289 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.3 mt -68.21 -36.69 76.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 123.663 0.785 . . . . 10.0 109.819 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.6 -34.72 76.28 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.025 0.829 . . . . 10.0 113.074 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -59.89 -47.99 83.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.897 0.879 . . . . 10.0 110.669 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.66 -43.81 92.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.73 -47.98 83.48 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.687 1.195 . . . . 10.0 112.529 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 123.068 0.547 . . . . 10.0 110.617 -179.735 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 119.798 -0.144 . . . . 10.0 111.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.76 -51.65 68.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.576 0.75 . . . . 10.0 111.037 169.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -59.54 -38.06 80.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.271 1.028 . . . . 10.0 113.311 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 ttt -57.1 -46.28 82.72 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.854 0.752 . . . . 10.0 111.964 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.65 -37.4 65.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.474 1.109 . . . . 10.0 112.485 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.8 -46.81 83.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.585 1.154 . . . . 10.0 112.021 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.81 -36.36 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.243 1.017 . . . . 10.0 111.868 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.26 -32.6 74.26 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.464 -0.773 . . . . 10.0 112.702 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t -86.4 -36.04 19.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.022 1.329 . . . . 10.0 113.448 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 126.66 1.984 . . . . 10.0 110.687 -170.007 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.331 0.586 . . . . 10.0 110.379 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.53 -37.58 87.84 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.499 -0.75 . . . . 10.0 112.09 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -40.68 97.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 10.0 112.22 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.96 -40.37 95.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.012 0.525 . . . . 10.0 111.814 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -73.72 -37.86 65.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.14 -33.2 75.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.857 0.753 . . . . 10.0 112.132 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.75 -38.08 88.12 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.277 -0.889 . . . . 10.0 111.751 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.24 -47.57 85.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.624 -0.673 . . . . 10.0 110.963 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.87 -25.69 66.53 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 125.67 1.588 . . . . 10.0 112.602 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.58 34.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.145 1.339 . . . . 10.0 114.529 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.66 -29.71 70.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.006 1.276 . . . . 10.0 108.669 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tp -74.48 -37.18 63.26 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.97 0.908 . . . . 10.0 111.806 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 m -63.05 -35.88 81.7 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.357 -2.09 . . . . 10.0 110.936 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -35.31 74.01 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.139 1.776 . . . . 10.0 112.429 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -154.34 93.81 2.86 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.756 1.622 . . . . 10.0 111.328 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -48.52 -24.61 6.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.425 3.417 . . . . 10.0 118.213 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.1 p -129.97 28.68 5.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 121.51 56.3 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.376 -2.083 . . . . 10.0 105.376 167.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.93 -26.85 31.2 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 121.717 1.612 . . . . 10.0 114.857 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.1 m -75.9 -42.32 49.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.79 1.177 . . . . 10.0 110.736 170.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.27 76.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.641 1.11 . . . . 10.0 112.131 171.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -35.26 37.91 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 110.908 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.47 99.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.02 0.928 . . . . 10.0 110.885 169.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -65.26 -52.97 51.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.485 1.514 . . . . 10.0 110.877 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -54.47 -45.46 73.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.791 170.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.28 -38.57 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.292 1.406 . . . . 10.0 112.478 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.62 -48.99 67.74 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.309 1.044 . . . . 10.0 112.343 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -69.45 -34.92 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 10.0 110.035 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.8 ttm -70.0 -33.78 72.48 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 121.56 -0.712 . . . . 10.0 112.413 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 m -60.33 -46.58 89.41 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.408 0.683 . . . . 10.0 110.56 169.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.14 -43.39 92.03 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -59.09 -49.11 79.13 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.74 1.216 . . . . 10.0 111.897 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 123.011 0.525 . . . . 10.0 111.161 -177.518 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.531 0.937 . . . . 10.0 113.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -113.17 -8.07 13.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.296 1.438 . . . . 10.0 114.006 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -140.74 19.55 2.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.541 1.537 . . . . 10.0 113.484 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 tpt -48.66 -48.74 39.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.113 1.365 . . . . 10.0 114.344 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.49 -28.44 66.06 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.54 -44.69 64.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.307 0.643 . . . . 10.0 111.135 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.01 -47.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.238 0.615 . . . . 10.0 110.523 175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.24 -15.72 17.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.672 1.189 . . . . 10.0 114.136 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.0 m -106.8 -10.5 16.05 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.44 1.496 . . . . 10.0 114.354 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 116.305 1.965 . . . . 10.0 116.305 -169.531 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 121.029 0.443 . . . . 10.0 110.804 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.35 -40.4 90.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.706 -0.621 . . . . 10.0 111.3 170.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.47 -37.56 80.28 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.422 1.089 . . . . 10.0 112.493 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.11 -42.81 95.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.14 0.576 . . . . 10.0 111.596 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.1 -37.25 69.57 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.929 0.892 . . . . 10.0 112.994 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -66.48 -34.48 78.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.669 0.787 . . . . 10.0 111.455 171.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.73 -37.16 85.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.806 0.73 . . . . 10.0 111.674 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.48 -47.58 85.51 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.477 -0.764 . . . . 10.0 110.782 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -66.78 -24.79 66.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.576 1.551 . . . . 10.0 112.659 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -37.52 33.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.965 1.257 . . . . 10.0 114.258 169.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -64.56 -32.3 73.89 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.65 1.114 . . . . 10.0 109.0 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.1 tp -71.94 -34.34 68.95 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.186 0.995 . . . . 10.0 111.624 168.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -65.3 -38.73 91.14 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 119.264 -2.147 . . . . 10.0 110.994 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -60.81 -32.18 71.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.742 0.817 . . . . 10.0 112.903 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -151.24 89.89 4.16 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.432 1.493 . . . . 10.0 112.431 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -48.91 -24.56 7.4 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 124.695 3.597 . . . . 10.0 118.483 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.3 p -130.02 28.35 5.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 171.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.38 125.01 80.86 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.57 -27.91 26.81 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.742 1.628 . . . . 10.0 115.632 -168.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 m -77.14 -41.29 42.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.99 1.268 . . . . 10.0 111.04 171.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.11 74.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 119.601 1.091 . . . . 10.0 111.743 170.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -35.99 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.949 0.899 . . . . 10.0 111.125 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.79 97.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.037 0.935 . . . . 10.0 111.225 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.58 -53.12 46.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.512 1.525 . . . . 10.0 110.909 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.44 -45.44 73.05 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 118.112 -0.947 . . . . 10.0 112.784 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.33 -38.59 90.61 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.271 1.396 . . . . 10.0 112.579 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.4 ttp -67.64 -48.48 66.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.352 1.061 . . . . 10.0 112.579 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -66.79 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.616 0.766 . . . . 10.0 109.697 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 ttm -68.76 -35.56 77.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.196 0.907 . . . . 10.0 113.07 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -60.67 -45.68 93.24 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.843 0.857 . . . . 10.0 111.246 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -67.48 -41.69 84.17 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.484 0.714 . . . . 10.0 112.678 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.49 -50.62 72.45 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.179 1.392 . . . . 10.0 111.977 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 122.867 0.467 . . . . 10.0 111.008 -176.282 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 119.557 -0.259 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -54.76 -38.96 67.84 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.134 1.374 . . . . 10.0 112.971 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 12.81 19.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.89 1.276 . . . . 10.0 113.518 -171.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.4 ttp -51.08 -44.86 61.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.534 1.134 . . . . 10.0 113.784 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.3 -27.81 69.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.06 -40.28 17.0 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.312 1.045 . . . . 10.0 111.474 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.39 -41.19 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.974 1.31 . . . . 10.0 111.303 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.73 -34.96 76.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.832 0.853 . . . . 10.0 113.133 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -77.92 -35.47 50.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.321 1.048 . . . . 10.0 112.357 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.475 0.805 0 C-N-CA 126.059 1.744 . . . . 10.0 114.529 -178.336 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 121.805 0.812 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.63 -33.78 75.72 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.527 -0.733 . . . . 10.0 111.855 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.41 -48.57 80.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.704 1.202 . . . . 10.0 110.817 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -57.65 -38.47 75.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.352 0.661 . . . . 10.0 111.655 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.9 tp -73.72 -39.1 64.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.75 -32.37 73.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.755 0.707 . . . . 10.0 112.102 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.48 -42.38 92.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.935 1.294 . . . . 10.0 110.849 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.53 -46.89 85.87 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.447 -0.783 . . . . 10.0 111.129 170.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -66.44 -24.7 66.49 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.155 1.382 . . . . 10.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -37.57 32.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.039 1.29 . . . . 10.0 114.282 169.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -62.91 -34.88 78.35 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.723 1.147 . . . . 10.0 108.512 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.13 -35.25 73.95 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 124.611 1.164 . . . . 10.0 112.167 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 m -64.56 -38.33 90.64 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 119.421 -2.049 . . . . 10.0 110.941 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.98 -30.89 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.108 0.781 . . . . 10.0 113.108 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -151.8 90.59 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.468 1.507 . . . . 10.0 112.302 170.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -49.14 -24.51 8.0 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.716 3.611 . . . . 10.0 118.416 -169.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -129.95 29.29 4.98 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 116.001 1.852 . . . . 10.0 116.001 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.24 125.31 83.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.651 -1.981 . . . . 10.0 105.651 167.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.04 -24.82 23.41 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 121.604 1.536 . . . . 10.0 115.569 -168.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -78.79 -40.93 31.74 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.047 1.294 . . . . 10.0 110.712 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.24 78.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.273 0.942 . . . . 10.0 111.813 169.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -35.34 40.07 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.919 0.888 . . . . 10.0 110.966 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.16 98.59 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.796 0.838 . . . . 10.0 110.918 169.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -65.25 -53.25 47.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.362 1.465 . . . . 10.0 110.939 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.49 -45.77 73.29 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.022 -0.99 . . . . 10.0 112.584 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.11 -37.99 89.25 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.5 1.5 . . . . 10.0 112.941 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -68.6 -46.42 69.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.587 1.155 . . . . 10.0 112.474 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -69.34 -35.48 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -67.78 -32.16 72.55 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.465 -0.772 . . . . 10.0 112.555 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.8 m -62.16 -41.93 98.78 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.428 0.691 . . . . 10.0 111.343 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.4 -42.2 79.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -62.65 -44.44 96.27 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.233 1.013 . . . . 10.0 112.28 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 123.365 0.666 . . . . 10.0 111.202 -179.324 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 119.508 -0.282 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.15 -33.32 67.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.656 0.782 . . . . 10.0 112.597 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -65.15 -4.4 4.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.025 1.73 . . . . 10.0 114.912 174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -54.47 -27.9 40.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.422 1.464 . . . . 10.0 114.114 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -65.05 -32.3 73.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.664 1.186 . . . . 10.0 113.257 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -77.41 -37.88 50.92 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 10.0 111.455 172.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.12 -41.4 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.52 0.728 . . . . 10.0 111.439 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.72 -23.77 53.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.03 1.332 . . . . 10.0 114.183 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -74.82 -12.19 60.33 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.48 1.065 0 C-N-CA 125.126 1.37 . . . . 10.0 114.598 -171.875 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.567 0.699 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -62.22 -38.7 90.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.611 -0.681 . . . . 10.0 111.904 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.63 -39.42 88.28 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.928 1.291 . . . . 10.0 112.161 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -58.88 -41.47 87.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.366 0.666 . . . . 10.0 111.426 170.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.29 -39.95 64.92 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.396 0.887 . . . . 10.0 113.396 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.47 -32.12 73.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.48 0.582 . . . . 10.0 111.718 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.98 -37.33 84.03 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.394 -0.816 . . . . 10.0 111.697 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.74 -46.99 88.3 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.375 -0.828 . . . . 10.0 111.025 169.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -66.65 -25.33 66.52 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.363 1.465 . . . . 10.0 112.523 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.72 34.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.115 1.325 . . . . 10.0 114.305 169.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -64.94 -32.29 73.93 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.667 1.121 . . . . 10.0 109.086 168.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.5 tp -72.13 -33.69 67.98 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 124.177 0.991 . . . . 10.0 111.75 168.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -65.35 -38.99 91.76 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 119.359 -2.088 . . . . 10.0 110.956 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -60.49 -33.28 72.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.745 0.818 . . . . 10.0 112.875 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -150.4 92.09 4.04 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.188 1.395 . . . . 10.0 112.452 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -51.41 -18.35 5.4 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 124.923 3.749 . . . . 10.0 118.472 -170.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.313 30.6 t -137.59 34.59 2.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 169.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.23 126.31 91.1 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 104.648 -2.352 . . . . 10.0 104.648 167.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.16 -26.76 25.34 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.51 1.473 . . . . 10.0 115.723 -168.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -76.92 -41.29 44.04 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.117 1.326 . . . . 10.0 110.879 170.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.25 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.604 1.093 . . . . 10.0 111.916 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.46 -36.09 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.778 0.831 . . . . 10.0 110.98 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.24 95.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.84 0.856 . . . . 10.0 111.119 169.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -66.2 -53.74 33.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.51 1.524 . . . . 10.0 110.962 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.24 -43.65 74.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.161 -0.923 . . . . 10.0 112.998 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.03 -43.07 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.147 1.34 . . . . 10.0 112.181 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.9 ttp -64.36 -48.3 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.224 1.01 . . . . 10.0 112.295 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.6 mt -68.52 -35.62 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.782 0.833 . . . . 10.0 110.206 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.0 ttm -69.07 -36.67 77.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.012 0.824 . . . . 10.0 112.72 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -56.84 -43.72 81.37 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.694 0.797 . . . . 10.0 111.184 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.52 -44.11 71.67 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.504 0.928 . . . . 10.0 113.504 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -58.99 -48.46 81.48 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.802 1.241 . . . . 10.0 112.23 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.8 t30 . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 123.336 0.654 . . . . 10.0 111.177 -177.816 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.6 t . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.07 3.03 27.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.6 1.96 . . . . 10.0 113.307 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -135.17 10.21 3.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.815 1.646 . . . . 10.0 113.491 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -50.01 -44.64 51.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.686 1.594 . . . . 10.0 113.843 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.63 -33.02 73.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.23 -37.23 66.46 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.623 0.769 . . . . 10.0 111.835 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.99 -44.46 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.051 0.94 . . . . 10.0 110.7 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.7 -39.83 85.89 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.349 1.06 . . . . 10.0 112.251 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.2 m -68.18 -4.54 14.25 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.225 1.41 . . . . 10.0 114.336 171.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.475 0.814 0 C-N-CA 126.269 1.828 . . . . 10.0 113.293 -176.161 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.649 0.738 . . . . 10.0 110.777 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.567 -0.708 . . . . 10.0 111.866 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.72 -38.12 86.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.941 0.896 . . . . 10.0 112.537 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.83 -39.81 86.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.84 0.856 . . . . 10.0 111.47 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -72.45 -38.47 68.26 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 113.033 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -65.99 -33.08 74.99 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.63 0.65 . . . . 10.0 111.994 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.03 -37.24 85.38 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.396 -0.815 . . . . 10.0 111.824 170.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.44 -48.1 83.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.458 -0.776 . . . . 10.0 110.691 169.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.05 -24.66 66.78 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.383 1.473 . . . . 10.0 112.446 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -36.78 34.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 169.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -65.17 -32.68 74.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.091 1.314 . . . . 10.0 108.667 168.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.42 -36.48 71.33 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 123.892 0.877 . . . . 10.0 111.505 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.0 m -64.24 -37.41 87.38 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 119.316 -2.115 . . . . 10.0 110.984 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -59.4 -36.2 75.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.853 1.661 . . . . 10.0 112.57 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -151.54 92.2 3.72 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.241 1.416 . . . . 10.0 112.143 169.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -48.45 -26.19 8.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 124.879 3.72 . . . . 10.0 118.46 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.5 p -129.94 28.02 5.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.973 1.842 . . . . 10.0 115.973 171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.59 125.45 82.51 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 167.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.17 -26.86 25.21 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.526 1.484 . . . . 10.0 115.547 -168.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -77.57 -40.53 42.03 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.098 1.317 . . . . 10.0 111.024 171.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 119.668 1.122 . . . . 10.0 111.811 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -36.06 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.883 0.873 . . . . 10.0 110.944 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.65 97.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.965 0.906 . . . . 10.0 111.009 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.54 -53.94 35.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.542 1.537 . . . . 10.0 110.902 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -55.3 -43.84 75.21 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.335 -0.84 . . . . 10.0 112.921 171.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.85 -39.64 90.96 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 120.236 1.38 . . . . 10.0 112.698 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.2 ttp -66.52 -47.46 72.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.456 1.103 . . . . 10.0 112.442 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 39' ' ' ALA . 95.4 mt -68.83 -36.75 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.852 0.861 . . . . 10.0 110.058 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -69.2 -36.22 77.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.953 0.797 . . . . 10.0 112.837 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.8 t -57.34 -50.09 74.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.765 0.826 . . . . 10.0 110.437 170.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.88 -43.08 97.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.78 -48.28 81.78 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.09 1.356 . . . . 10.0 112.239 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 t30 . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 122.634 0.374 . . . . 10.0 111.52 -175.703 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.59 -0.96 42.09 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.136 1.375 . . . . 10.0 114.056 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.6 m -135.86 -9.02 2.1 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -46.32 -46.04 17.91 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.044 1.498 . . . . 10.0 115.044 -169.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.59 -29.99 71.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.304 1.042 . . . . 10.0 113.698 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -85.55 -40.21 16.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.067 0.947 . . . . 10.0 111.992 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.54 -35.43 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.986 0.914 . . . . 10.0 111.767 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.95 -16.98 7.96 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.897 1.279 . . . . 10.0 114.355 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.4 m -126.86 9.01 6.88 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.499 1.919 . . . . 10.0 113.104 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 125.37 1.468 . . . . 10.0 112.311 -173.234 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 CA-C-O 121.178 0.514 . . . . 10.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -61.11 -38.26 85.68 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.453 -0.779 . . . . 10.0 111.251 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -58.7 -46.7 86.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.763 2.025 . . . . 10.0 111.888 170.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -61.73 -40.64 95.8 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.103 0.561 . . . . 10.0 112.014 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -74.2 -39.19 63.3 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.7 -30.96 70.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.441 0.564 . . . . 10.0 111.888 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.21 -37.42 83.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.914 0.779 . . . . 10.0 111.267 169.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -47.13 87.23 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.469 -0.769 . . . . 10.0 110.705 169.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.08 -23.81 66.59 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.05 1.34 . . . . 10.0 112.568 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.15 -38.72 30.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.048 1.295 . . . . 10.0 114.232 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -62.61 -34.6 77.35 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.942 1.246 . . . . 10.0 108.768 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.39 -35.83 76.18 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 124.478 1.111 . . . . 10.0 111.962 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -63.45 -38.61 91.8 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 119.802 -1.811 . . . . 10.0 110.818 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -59.83 -32.74 70.95 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -151.77 87.77 4.35 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.424 1.489 . . . . 10.0 111.958 174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -47.06 -24.45 3.36 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.957 3.771 . . . . 10.0 119.284 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 p -129.98 30.95 4.76 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 171.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 125.04 84.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 168.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.06 -25.93 26.7 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 121.583 1.522 . . . . 10.0 115.598 -168.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -78.33 -41.17 34.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.066 1.303 . . . . 10.0 110.86 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.05 -41.9 75.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.402 1.001 . . . . 10.0 111.771 170.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.83 -35.18 38.71 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.939 0.895 . . . . 10.0 110.932 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.8 98.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.825 0.85 . . . . 10.0 111.013 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.09 -53.56 43.63 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.575 1.55 . . . . 10.0 110.806 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -54.27 -45.63 72.5 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.127 -0.939 . . . . 10.0 112.735 171.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -65.85 -37.08 85.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.41 1.459 . . . . 10.0 112.892 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -69.18 -46.15 68.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.614 1.165 . . . . 10.0 112.696 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -68.88 -36.14 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.654 0.782 . . . . 10.0 109.809 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.6 ttm -68.27 -33.97 75.34 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.557 -0.714 . . . . 10.0 112.677 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.0 m -60.46 -47.2 87.13 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.424 0.69 . . . . 10.0 110.719 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.6 -45.27 91.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.398 0.679 . . . . 10.0 112.717 174.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.54 -48.52 79.08 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.05 1.34 . . . . 10.0 112.127 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.6 t30 . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 123.033 0.533 . . . . 10.0 111.27 -176.306 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.751 0.649 . . . . 10.0 112.751 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -94.76 4.73 53.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.297 1.439 . . . . 10.0 113.745 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 m -125.17 4.67 7.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.939 1.696 . . . . 10.0 112.895 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.0 ttt -56.44 -37.58 70.45 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.108 1.151 . . . . 10.0 114.108 -169.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -65.96 -44.15 85.83 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.184 0.902 . . . . 10.0 111.429 177.509 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.64 -40.41 96.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.543 0.737 . . . . 10.0 111.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.9 -38.76 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.441 1.096 . . . . 10.0 111.337 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.9 -39.68 90.83 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.21 -0.931 . . . . 10.0 112.397 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.0 m -67.49 -36.19 80.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.998 0.919 . . . . 10.0 113.155 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 10.0 110.341 173.61 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 121.082 0.468 . . . . 10.0 110.677 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -32.33 73.32 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.356 -0.84 . . . . 10.0 112.017 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.1 -42.75 84.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.608 1.563 . . . . 10.0 111.777 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.02 -42.27 93.98 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.62 0.768 . . . . 10.0 111.494 172.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -72.4 -38.35 68.45 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.382 0.882 . . . . 10.0 113.382 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -66.22 -33.36 75.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.952 0.901 . . . . 10.0 111.759 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.49 -39.01 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.53 0.732 . . . . 10.0 111.584 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.99 -47.77 83.97 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.669 -0.644 . . . . 10.0 110.853 169.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.82 -25.66 66.55 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.739 1.616 . . . . 10.0 112.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.29 -36.98 33.64 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.889 1.222 . . . . 10.0 114.266 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -63.87 -33.34 75.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.831 1.196 . . . . 10.0 108.767 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tp -70.9 -36.2 72.62 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.315 1.046 . . . . 10.0 111.923 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 m -63.45 -38.18 90.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 119.528 -1.983 . . . . 10.0 111.058 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.61 -32.99 73.14 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.172 0.989 . . . . 10.0 112.974 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -150.88 90.89 4.1 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.441 1.497 . . . . 10.0 112.154 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -48.78 -24.15 6.62 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 124.773 3.649 . . . . 10.0 118.38 -169.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -130.49 27.91 4.97 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.74 124.98 78.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 105.832 -1.914 . . . . 10.0 105.832 167.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 -25.3 24.28 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.62 1.547 . . . . 10.0 115.545 -168.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -77.74 -41.8 36.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.08 1.309 . . . . 10.0 110.808 170.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.35 74.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.472 1.033 . . . . 10.0 111.881 170.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -35.27 38.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.001 0.92 . . . . 10.0 111.107 -177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.44 98.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.809 0.844 . . . . 10.0 111.026 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.48 -53.67 39.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.567 1.547 . . . . 10.0 110.58 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -54.27 -44.9 72.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.064 -0.969 . . . . 10.0 112.854 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.93 -39.73 93.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.397 1.453 . . . . 10.0 112.688 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -66.66 -47.7 71.7 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.494 1.118 . . . . 10.0 112.085 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.5 mt -69.01 -36.06 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.839 0.855 . . . . 10.0 110.256 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -68.54 -33.32 73.9 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.502 -0.749 . . . . 10.0 112.374 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -58.7 -49.03 79.08 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.501 0.72 . . . . 10.0 110.607 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.31 -44.29 95.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.82 -48.56 80.89 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.866 1.266 . . . . 10.0 112.191 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.536 0.433 0 C-N-CA 123.307 0.643 . . . . 10.0 111.584 -174.226 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -91.66 -38.64 12.31 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.831 0.853 . . . . 10.0 112.836 173.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -22.24 63.8 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -30.81 32.63 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -67.15 -26.2 66.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.51 -31.22 69.34 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.583 -0.698 . . . . 10.0 112.035 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.7 mm -71.14 -40.1 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.208 1.003 . . . . 10.0 110.927 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.34 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.737 0.815 . . . . 10.0 112.819 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -61.26 -17.61 54.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 174.581 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.63 0.729 . . . . 10.0 110.787 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -35.88 81.0 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.524 -0.735 . . . . 10.0 111.619 172.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -68.5 -38.59 81.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.166 0.986 . . . . 10.0 112.724 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.0 -41.11 91.38 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.892 0.877 . . . . 10.0 111.261 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -70.53 -38.52 74.23 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.29 -33.39 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.749 0.704 . . . . 10.0 112.409 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.68 -43.67 95.97 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.502 -0.749 . . . . 10.0 110.833 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.23 -45.72 87.2 Favored 'General case' 0 C--N 1.34 0.163 0 O-C-N 122.084 -0.385 . . . . 10.0 111.259 173.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -67.4 -27.31 66.98 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.245 1.418 . . . . 10.0 112.596 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.39 34.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.405 1.261 . . . . 10.0 114.405 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -63.45 -34.71 78.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.644 1.111 . . . . 10.0 108.877 169.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.6 tp -71.79 -34.69 69.61 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 124.932 1.293 . . . . 10.0 112.099 169.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -63.87 -38.72 92.12 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 119.427 -2.046 . . . . 10.0 111.006 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.22 -32.02 71.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.824 0.85 . . . . 10.0 112.975 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -151.46 90.34 4.02 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.457 1.503 . . . . 10.0 112.261 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -49.33 -24.28 8.29 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.677 3.584 . . . . 10.0 118.11 -169.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -130.16 29.33 4.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 116.126 1.898 . . . . 10.0 116.126 171.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 124.61 80.5 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 167.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.21 -27.42 29.1 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.811 1.674 . . . . 10.0 115.573 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.7 m -77.8 -41.11 38.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.732 1.151 . . . . 10.0 110.985 171.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.46 75.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.421 1.01 . . . . 10.0 111.88 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -35.74 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.039 0.936 . . . . 10.0 111.088 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.95 97.96 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.871 0.868 . . . . 10.0 110.924 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.59 -53.86 35.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.365 1.466 . . . . 10.0 110.921 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.0 -44.87 71.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.974 0.91 . . . . 10.0 112.74 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -64.76 -41.03 96.19 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.131 1.332 . . . . 10.0 112.681 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -66.52 -45.24 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.412 1.085 . . . . 10.0 112.245 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -71.44 -36.07 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.741 0.816 . . . . 10.0 110.077 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.13 -34.44 76.36 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.946 0.794 . . . . 10.0 112.831 176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -57.88 -45.73 85.94 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 10.0 111.128 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.47 -42.83 74.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.71 0.804 . . . . 10.0 113.106 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -57.96 -47.22 83.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.32 1.448 . . . . 10.0 112.109 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.424 0.689 . . . . 10.0 111.432 -179.012 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -56.83 -15.89 5.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.917 1.287 . . . . 10.0 114.389 170.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -118.01 11.43 13.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.115 1.766 . . . . 10.0 112.965 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.9 tpp -54.46 -36.38 64.02 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.863 -1.148 . . . . 10.0 113.243 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.0 -27.92 68.49 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.35 -35.51 71.19 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.958 0.799 . . . . 10.0 111.679 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.47 -40.33 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.979 0.912 . . . . 10.0 111.211 172.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.98 -35.39 78.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.653 1.181 . . . . 10.0 112.771 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 m -63.63 -17.32 62.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 124.96 1.304 . . . . 10.0 114.186 174.409 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 121.426 0.631 . . . . 10.0 110.378 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -64.92 -35.49 81.34 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.599 -0.688 . . . . 10.0 112.353 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.66 -38.14 73.77 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.844 1.258 . . . . 10.0 112.547 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.78 -42.16 88.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.79 0.723 . . . . 10.0 111.194 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.77 -37.88 70.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.166 0.987 . . . . 10.0 113.183 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.89 -34.96 79.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.97 0.908 . . . . 10.0 111.615 171.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.36 -39.61 89.24 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.609 -0.682 . . . . 10.0 111.809 170.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.17 85.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.512 0.596 . . . . 10.0 111.114 169.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -65.79 -25.12 67.1 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.362 1.465 . . . . 10.0 112.07 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -36.59 34.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.903 1.229 . . . . 10.0 114.039 169.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.13 -35.8 79.84 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.647 1.112 . . . . 10.0 108.582 169.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.28 -36.21 74.24 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 125.184 1.393 . . . . 10.0 112.435 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.29 -37.94 89.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 119.558 -1.964 . . . . 10.0 110.927 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.61 -31.78 71.87 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.68 90.11 3.99 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.54 1.536 . . . . 10.0 112.04 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -48.52 -24.77 6.82 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 124.829 3.686 . . . . 10.0 118.456 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -129.8 27.9 5.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.184 1.92 . . . . 10.0 116.184 171.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.1 124.72 78.7 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 167.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.37 -24.53 26.79 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.76 1.64 . . . . 10.0 115.493 -168.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -80.35 -39.77 27.92 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.904 1.229 . . . . 10.0 110.85 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.05 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 119.471 1.032 . . . . 10.0 111.539 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -35.17 44.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.035 0.934 . . . . 10.0 110.824 -178.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.4 98.56 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.597 0.759 . . . . 10.0 111.013 169.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.09 -54.13 34.69 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 125.446 1.498 . . . . 10.0 110.83 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.75 -45.35 74.16 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.918 -1.039 . . . . 10.0 112.67 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -65.25 -37.69 88.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.639 1.563 . . . . 10.0 112.743 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -68.31 -48.63 64.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.604 1.162 . . . . 10.0 112.19 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.602 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.6 mt -66.32 -35.48 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.624 0.77 . . . . 10.0 109.825 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.1 ttm -69.46 -34.67 74.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.915 0.78 . . . . 10.0 112.998 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.9 m -61.6 -44.31 97.23 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.794 0.838 . . . . 10.0 110.941 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.23 -45.01 82.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.251 0.62 . . . . 10.0 112.665 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -56.78 -51.39 69.1 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.966 1.306 . . . . 10.0 111.826 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 122.858 0.463 . . . . 10.0 111.38 -172.124 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -51.92 -33.7 38.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.597 1.559 . . . . 10.0 112.831 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.309 1.044 . . . . 10.0 113.228 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 mmt -96.28 -38.7 9.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.723 1.209 . . . . 10.0 112.311 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.97 -31.97 73.2 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.322 -0.861 . . . . 10.0 113.215 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.82 -27.85 65.48 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.959 0.904 . . . . 10.0 113.169 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.83 -54.08 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.209 1.004 . . . . 10.0 109.864 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.68 -39.67 94.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -171.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.4 m -69.09 -3.48 13.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.663 1.357 . . . . 10.0 114.663 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 169.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.469 0.652 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -66.78 -40.04 88.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.192 0.597 . . . . 10.0 111.752 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.27 -42.06 99.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.035 0.934 . . . . 10.0 111.949 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.77 -41.24 95.11 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.117 0.967 . . . . 10.0 112.077 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -73.18 -39.3 65.72 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -67.71 -34.55 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.418 0.554 . . . . 10.0 111.815 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -37.33 85.16 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.29 -0.881 . . . . 10.0 112.058 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.51 -47.99 83.4 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.585 -0.697 . . . . 10.0 110.506 170.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.95 -26.52 67.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.516 1.527 . . . . 10.0 112.609 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -36.96 34.95 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.15 -33.78 76.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.041 1.291 . . . . 10.0 108.713 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.7 tp -70.25 -35.85 74.09 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 124.212 1.005 . . . . 10.0 111.833 169.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -64.12 -38.72 92.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 119.39 -2.069 . . . . 10.0 111.036 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -61.82 -31.73 71.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.159 0.984 . . . . 10.0 112.908 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -151.36 90.09 4.09 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.573 1.549 . . . . 10.0 112.215 170.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -49.22 -24.09 7.67 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.573 3.515 . . . . 10.0 118.445 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -130.14 27.89 5.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 116.167 1.914 . . . . 10.0 116.167 171.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.58 124.54 76.25 Favored Pre-proline 0 N--CA 1.468 0.449 0 N-CA-C 105.94 -1.874 . . . . 10.0 105.94 167.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 -27.42 25.48 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.598 1.532 . . . . 10.0 115.65 -168.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.33 -40.96 42.28 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.11 1.323 . . . . 10.0 110.788 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.6 75.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 119.442 1.019 . . . . 10.0 111.76 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 -36.54 41.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.935 0.894 . . . . 10.0 111.112 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.031 0.933 . . . . 10.0 111.246 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -66.08 -53.52 37.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.45 1.5 . . . . 10.0 110.928 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.29 -44.84 72.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 118.248 -0.882 . . . . 10.0 112.777 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -64.18 -41.01 97.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.181 1.355 . . . . 10.0 112.714 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 ttp -66.34 -46.2 77.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.172 0.989 . . . . 10.0 112.41 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.5 mt -70.52 -35.7 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.793 0.837 . . . . 10.0 110.009 178.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttm -69.14 -35.22 76.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.928 0.785 . . . . 10.0 112.868 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -58.71 -40.73 84.55 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.075 0.95 . . . . 10.0 111.464 170.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.45 -45.18 63.3 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.584 0.753 . . . . 10.0 112.666 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.25 -46.67 79.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.874 1.27 . . . . 10.0 112.653 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 122.994 0.518 . . . . 10.0 111.705 -177.741 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -51.35 -21.91 2.54 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.539 1.536 . . . . 10.0 114.949 170.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.0 m -124.04 -35.69 2.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 10.0 112.766 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.14 -23.28 66.48 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.304 -0.872 . . . . 10.0 113.125 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -53.7 -31.68 48.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.85 1.056 . . . . 10.0 113.85 170.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 -29.79 68.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.536 1.134 . . . . 10.0 112.528 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mm -85.17 -42.59 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.157 1.383 . . . . 10.0 110.602 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.81 -40.93 70.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.145 1.378 . . . . 10.0 112.611 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.8 m -59.82 -8.05 1.96 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.002 1.721 . . . . 10.0 114.915 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 126.2 1.8 . . . . 10.0 113.325 -178.655 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 120.94 0.4 . . . . 10.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.5 -38.62 87.98 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.531 -0.731 . . . . 10.0 111.546 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.44 -37.19 80.03 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.692 0.678 . . . . 10.0 112.808 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.47 -43.05 93.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.773 0.715 . . . . 10.0 111.198 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -70.49 -37.44 74.2 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -66.63 -34.71 78.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.737 0.815 . . . . 10.0 111.54 172.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.8 -39.35 93.45 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.431 -0.793 . . . . 10.0 111.664 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -61.06 -47.01 88.34 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.688 -0.632 . . . . 10.0 111.617 170.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.42 -25.95 68.24 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.465 1.906 . . . . 10.0 111.964 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -37.24 34.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 169.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.79 -35.91 81.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.171 1.35 . . . . 10.0 108.455 168.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.1 tp -69.03 -36.77 78.12 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.145 0.978 . . . . 10.0 112.223 169.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 m -63.68 -37.95 89.28 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 119.418 -2.051 . . . . 10.0 111.144 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.98 -33.62 73.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.477 1.111 . . . . 10.0 112.886 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -152.25 92.0 3.56 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 125.462 1.505 . . . . 10.0 111.866 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -48.63 -24.16 6.32 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.896 3.731 . . . . 10.0 118.357 -169.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.8 p -130.75 27.61 4.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 116.233 1.938 . . . . 10.0 116.233 171.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.15 127.03 85.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 106.241 -1.763 . . . . 10.0 106.241 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.53 -27.88 18.3 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 N-CA-C 115.636 1.36 . . . . 10.0 115.636 -168.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -73.67 -42.47 61.28 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.264 1.393 . . . . 10.0 110.639 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.6 79.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.475 1.034 . . . . 10.0 111.986 172.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -35.64 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.845 0.858 . . . . 10.0 110.933 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.01 97.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.085 0.954 . . . . 10.0 111.032 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.78 -53.51 39.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.523 1.529 . . . . 10.0 110.918 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -54.59 -44.56 73.15 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.144 -0.932 . . . . 10.0 112.668 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -65.01 -40.46 94.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.329 1.422 . . . . 10.0 112.684 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -66.3 -45.99 78.47 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.633 1.173 . . . . 10.0 112.357 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -70.0 -35.81 65.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 123.86 0.864 . . . . 10.0 110.186 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.8 ttm -68.01 -33.78 75.24 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.463 -0.773 . . . . 10.0 112.859 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -58.96 -42.53 90.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.978 0.911 . . . . 10.0 111.397 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.59 -43.51 72.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.903 . . . . 10.0 112.83 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -61.91 -43.29 99.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.102 1.361 . . . . 10.0 113.311 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 111.676 -176.536 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -61.1 -39.22 89.15 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.019 0.928 . . . . 10.0 112.27 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.1 m -66.73 -41.26 88.18 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.413 0.685 . . . . 10.0 112.627 170.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.1 ttt -62.78 -31.22 72.15 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.293 -0.879 . . . . 10.0 113.0 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.9 -28.65 67.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.22 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.532 -0.73 . . . . 10.0 112.785 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -75.12 -46.4 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.341 1.056 . . . . 10.0 109.929 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.18 -29.22 67.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.773 1.229 . . . . 10.0 113.466 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -56.14 -22.4 28.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.226 1.41 . . . . 10.0 114.018 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.334 . . . . 10.0 114.603 177.259 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.077 0.465 . . . . 10.0 111.106 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.0 -35.82 79.67 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.339 -0.851 . . . . 10.0 112.192 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -69.32 -38.48 78.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.046 0.938 . . . . 10.0 112.326 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.497 0.719 . . . . 10.0 111.949 170.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -71.04 -37.15 72.55 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.846 0.859 . . . . 10.0 113.137 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -65.18 -36.55 84.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.604 0.762 . . . . 10.0 111.703 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.53 -38.3 90.53 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.54 -0.725 . . . . 10.0 111.817 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.92 -46.56 90.18 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.782 -0.574 . . . . 10.0 111.56 169.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.4 -23.43 66.31 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.155 1.382 . . . . 10.0 112.264 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -37.41 32.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.946 1.248 . . . . 10.0 113.977 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -62.52 -36.16 81.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.106 1.321 . . . . 10.0 108.348 168.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.92 -35.79 77.23 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.635 0.774 . . . . 10.0 112.305 169.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 m -64.94 -38.43 90.95 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 119.429 -2.044 . . . . 10.0 111.047 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.52 -33.69 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.539 1.136 . . . . 10.0 112.668 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.76 92.63 3.6 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.324 1.45 . . . . 10.0 112.305 169.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.45 -24.06 8.39 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 124.681 3.587 . . . . 10.0 118.156 -169.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.5 p -130.41 27.97 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 116.2 1.926 . . . . 10.0 116.2 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 126.61 85.6 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 106.277 -1.749 . . . . 10.0 106.277 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.66 -29.93 18.84 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 121.315 1.343 . . . . 10.0 115.582 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.14 -42.62 65.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.346 1.43 . . . . 10.0 110.886 170.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.76 78.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 119.5 1.045 . . . . 10.0 111.968 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -35.15 39.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.925 0.89 . . . . 10.0 111.125 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.38 98.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.301 1.041 . . . . 10.0 110.933 169.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -65.69 -53.57 39.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.373 1.469 . . . . 10.0 110.843 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.02 -44.98 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.061 -0.971 . . . . 10.0 112.772 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -64.57 -40.58 95.81 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.304 1.411 . . . . 10.0 112.686 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.2 ttp -65.23 -49.71 68.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.258 1.023 . . . . 10.0 111.918 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -67.37 -33.95 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.003 0.921 . . . . 10.0 110.163 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.7 ttm -70.17 -38.64 75.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.116 0.871 . . . . 10.0 112.992 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 t -57.27 -44.3 83.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.319 1.048 . . . . 10.0 110.908 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.09 -49.68 66.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 171.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -53.87 -48.58 69.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.453 1.501 . . . . 10.0 112.713 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 122.602 0.361 . . . . 10.0 111.878 -171.579 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 112.716 0.636 . . . . 10.0 112.716 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.52 -18.01 63.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.528 1.131 . . . . 10.0 113.826 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 m -136.75 20.1 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.403 1.481 . . . . 10.0 113.277 -169.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 ptp -55.45 -34.28 64.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -169.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -37.61 64.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.101 0.864 . . . . 10.0 112.13 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.87 -38.48 88.91 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.492 -0.755 . . . . 10.0 111.577 173.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.39 -48.78 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.081 0.952 . . . . 10.0 110.895 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.39 -34.62 69.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 10.0 112.975 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 m -69.88 -8.72 50.99 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.478 0.962 0 C-N-CA 125.449 1.5 . . . . 10.0 113.995 -170.129 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 119.222 -0.418 . . . . 10.0 111.411 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -15.17 63.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -175.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -59.21 154.51 40.66 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 125.346 1.458 . . . . 10.0 113.646 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.56 152.96 25.09 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 123.469 2.779 . . . . 10.0 112.847 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.8 155.69 68.91 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.033 2.489 . . . . 10.0 112.379 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p -140.41 157.95 67.33 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.186 1.395 . . . . 10.0 112.017 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.27 141.44 59.74 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 124.671 3.58 . . . . 10.0 114.087 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 tp -144.85 14.22 1.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.797 1.239 . . . . 10.0 112.946 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.55 -20.94 66.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.538 1.535 . . . . 10.0 114.741 -171.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.43 28.75 1.81 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.33 1.452 . . . . 10.0 112.713 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.78 -33.22 68.3 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.612 1.338 . . . . 10.0 114.612 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -158.32 136.85 11.05 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.888 1.675 . . . . 10.0 110.253 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -159.65 -40.9 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.123 0.969 . . . . 10.0 112.551 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -126.17 -8.97 6.47 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -58.61 -22.66 56.99 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.17 -32.95 29.62 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.94 1.257 . . . . 10.0 114.235 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.09 -26.65 50.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.153 1.781 . . . . 10.0 114.27 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.53 -20.82 6.44 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.704 1.202 . . . . 10.0 113.827 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -66.86 -34.56 78.07 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.243 -0.911 . . . . 10.0 111.059 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.83 49.9 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.219 1.866 . . . . 10.0 115.339 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -107.56 -35.44 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.296 1.439 . . . . 10.0 112.632 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.28 92.06 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.477 1.037 . . . . 10.0 113.593 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -55.44 -26.28 41.13 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.084 1.354 . . . . 10.0 114.605 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -8.58 59.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -104.85 19.96 19.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.893 1.277 . . . . 10.0 110.297 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -144.09 18.16 1.76 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.355 2.262 . . . . 10.0 111.845 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -52.19 -26.4 11.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 117.224 2.305 . . . . 10.0 117.224 -169.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.6 -3.49 90.49 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 123.999 0.809 . . . . 10.0 114.804 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.93 -13.54 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.888 1.675 . . . . 10.0 112.451 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -43.95 -35.32 1.98 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.998 1.719 . . . . 10.0 113.143 172.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -52.93 -53.18 53.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.834 2.053 . . . . 10.0 115.27 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.55 39.7 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.884 1.274 . . . . 10.0 111.007 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -62.08 -38.87 90.47 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.536 -0.728 . . . . 10.0 111.877 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.75 -43.74 95.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.95 1.3 . . . . 10.0 111.729 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.26 -39.85 88.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.165 0.586 . . . . 10.0 112.21 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.13 -38.89 66.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.705 0.802 . . . . 10.0 113.038 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -65.91 -34.57 78.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.604 0.638 . . . . 10.0 111.404 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.72 -38.42 90.92 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.46 -0.775 . . . . 10.0 111.924 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.92 88.08 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.395 -0.816 . . . . 10.0 111.164 169.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.18 -25.03 67.55 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.72 1.608 . . . . 10.0 112.463 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -37.6 32.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -63.31 -32.98 74.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.757 1.162 . . . . 10.0 108.581 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.64 -38.45 73.86 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 124.635 1.174 . . . . 10.0 111.984 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -61.77 -37.6 84.89 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 119.812 -1.805 . . . . 10.0 111.182 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.23 -31.53 71.31 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -152.71 86.8 4.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.567 1.547 . . . . 10.0 111.576 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -45.42 -27.64 3.43 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.769 3.646 . . . . 10.0 119.231 -169.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -127.65 29.67 5.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.509 1.67 . . . . 10.0 115.509 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.18 124.1 78.84 Favored Pre-proline 0 N--CA 1.47 0.551 0 N-CA-C 105.252 -2.129 . . . . 10.0 105.252 167.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.25 -26.32 25.41 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.572 1.515 . . . . 10.0 115.664 -168.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.59 -40.88 40.69 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.042 1.292 . . . . 10.0 110.8 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.9 77.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.541 1.064 . . . . 10.0 111.803 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -35.17 40.88 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 123.905 0.882 . . . . 10.0 110.927 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.37 98.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.842 0.857 . . . . 10.0 111.003 169.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.14 -53.6 42.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.553 1.541 . . . . 10.0 110.859 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -55.38 -45.31 76.59 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.027 -0.987 . . . . 10.0 112.637 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -65.97 -37.23 85.44 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 120.481 1.491 . . . . 10.0 112.863 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.8 ttp -68.2 -49.0 63.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.459 1.104 . . . . 10.0 112.27 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.55 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -66.23 -34.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.559 0.744 . . . . 10.0 109.699 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.9 ttm -68.53 -35.3 77.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.86 0.754 . . . . 10.0 112.963 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -60.53 -42.77 97.17 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.645 0.778 . . . . 10.0 111.159 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.05 -42.15 73.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.289 0.848 . . . . 10.0 113.289 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.12 -52.62 63.68 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.548 1.539 . . . . 10.0 111.3 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -69.12 -39.7 78.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.507 0.323 . . . . 10.0 111.406 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.43 -46.7 82.05 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.052 0.941 . . . . 10.0 112.269 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.24 -38.57 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.969 -0.457 . . . . 10.0 112.125 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -63.04 -40.94 99.23 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.45 -0.781 . . . . 10.0 112.503 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.25 -39.17 91.98 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.062 0.846 . . . . 10.0 113.2 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.16 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -65.23 -43.07 92.62 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.338 1.055 . . . . 10.0 111.696 172.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -61.44 -38.56 87.6 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.121 -0.987 . . . . 10.0 112.504 171.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.4 m -64.33 -37.64 88.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.584 0.754 . . . . 10.0 112.34 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.15 87.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.343 0.657 . . . . 10.0 112.269 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.54 -41.53 90.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.119 1.368 . . . . 10.0 111.716 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.64 -18.87 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.353 1.461 . . . . 10.0 113.785 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -117.95 7.1 12.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.723 1.609 . . . . 10.0 113.39 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -31.32 65.01 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.77 -31.67 72.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.476 1.11 . . . . 10.0 113.223 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.32 -42.61 18.54 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.338 1.055 . . . . 10.0 111.307 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.35 -32.15 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.574 1.149 . . . . 10.0 111.926 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -61.41 -14.69 30.07 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.473 1.286 . . . . 10.0 114.473 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -126.41 -20.22 4.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.96 1.704 . . . . 10.0 113.452 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.1 m -134.33 49.14 2.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.353 2.261 . . . . 10.0 110.648 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.7 tp -46.8 124.59 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.79 2.036 . . . . 10.0 113.3 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.6 tp -154.5 118.8 4.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.542 1.537 . . . . 10.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -61.74 133.88 56.07 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.545 0.738 . . . . 10.0 111.882 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -90.47 -3.8 57.39 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.46 128.51 37.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.313 1.045 . . . . 10.0 111.288 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -156.9 175.23 14.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.403 1.081 . . . . 10.0 112.744 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -136.24 -50.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.455 1.502 . . . . 10.0 110.24 170.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -71.19 141.56 50.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.784 0.834 . . . . 10.0 109.641 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.742 1.217 . . . . 10.0 111.678 -174.436 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.411 -0.218 . . . . 10.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -153.27 170.38 20.74 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.458 1.503 . . . . 10.0 111.96 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -147.57 156.96 45.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.955 1.302 . . . . 10.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.27 160.83 38.84 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 123.263 2.642 . . . . 10.0 111.703 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 151.69 52.97 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.336 2.69 . . . . 10.0 112.696 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p -135.58 156.93 77.28 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 125.011 1.324 . . . . 10.0 112.176 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.85 156.35 23.85 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.359 3.373 . . . . 10.0 114.063 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.83 -3.91 3.22 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.79 63.94 7.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.132 1.373 . . . . 10.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.24 149.67 23.62 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.424 1.09 . . . . 10.0 112.556 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -156.24 177.02 11.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.821 1.648 . . . . 10.0 110.173 -174.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -61.15 13.44 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.613 1.965 . . . . 10.0 116.085 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -27.36 49.94 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.073 1.749 . . . . 10.0 113.448 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -61.93 -14.94 39.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 115.035 1.495 . . . . 10.0 115.035 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 m -71.96 -6.02 39.04 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.92 1.452 . . . . 10.0 114.92 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.82 -34.36 0.06 OUTLIER Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.41 1.324 . . . . 10.0 116.41 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.39 -33.21 74.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.346 1.073 . . . . 10.0 112.176 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -83.57 105.05 14.19 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.208 1.403 . . . . 10.0 108.251 169.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -165.46 -164.42 0.75 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.394 1.878 . . . . 10.0 109.129 -173.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.41 -37.79 3.64 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.516 1.532 . . . . 10.0 115.151 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.7 -49.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.193 1.797 . . . . 10.0 112.308 170.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.91 -12.95 65.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.823 1.678 . . . . 10.0 115.791 -172.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 7.54 6.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.76 1.624 . . . . 10.0 114.687 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.21 -44.02 0.38 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -80.44 -35.46 35.0 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.14 0.427 . . . . 10.0 110.91 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -42.6 -46.98 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.885 2.074 . . . . 10.0 114.171 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.05 -21.94 65.33 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.802 1.241 . . . . 10.0 113.63 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 -14.19 56.39 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.284 1.421 . . . . 10.0 114.436 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.79 -15.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.006 1.403 . . . . 10.0 112.751 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -57.32 -19.97 25.66 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.823 -1.173 . . . . 10.0 112.474 169.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.2 -34.49 60.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.247 1.819 . . . . 10.0 113.055 169.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -42.11 99.18 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.188 1.395 . . . . 10.0 111.334 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -37.02 83.74 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.472 -0.767 . . . . 10.0 111.71 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.79 -42.04 86.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.487 1.115 . . . . 10.0 111.968 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.39 -40.21 85.84 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.672 0.789 . . . . 10.0 111.816 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.7 tp -71.26 -41.64 69.82 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.36 -32.53 74.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.359 0.527 . . . . 10.0 111.695 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.83 -40.35 83.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.387 -0.821 . . . . 10.0 112.124 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -57.64 -45.74 85.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.67 0.668 . . . . 10.0 111.01 171.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -29.0 70.11 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 125.819 1.648 . . . . 10.0 111.977 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.13 -34.11 38.03 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 120.028 1.286 . . . . 10.0 114.416 169.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.36 -35.04 77.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.938 1.245 . . . . 10.0 108.167 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.83 -36.02 72.71 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 125.469 1.507 . . . . 10.0 112.737 169.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -63.17 -38.05 89.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 119.503 -1.998 . . . . 10.0 110.801 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.88 -32.9 72.33 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -151.53 90.63 3.96 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.465 1.506 . . . . 10.0 111.932 170.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -48.6 -25.86 8.41 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 124.774 3.649 . . . . 10.0 118.088 -169.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 p -129.24 29.26 5.16 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.032 1.864 . . . . 10.0 116.032 171.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.17 124.8 82.04 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 105.541 -2.022 . . . . 10.0 105.541 167.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.71 -26.4 27.85 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.711 1.607 . . . . 10.0 115.546 -168.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 m -78.67 -40.19 34.67 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.987 1.267 . . . . 10.0 110.988 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.01 79.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.498 1.044 . . . . 10.0 111.622 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -35.66 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.925 0.89 . . . . 10.0 110.945 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.94 97.11 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 10.0 111.21 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.14 -54.52 28.5 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.301 1.44 . . . . 10.0 110.794 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -53.83 -44.22 70.08 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.182 -0.913 . . . . 10.0 112.874 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -65.19 -39.7 93.2 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.356 1.435 . . . . 10.0 112.735 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.97 -46.21 75.34 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.466 1.106 . . . . 10.0 112.342 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -70.56 -36.07 64.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.93 0.892 . . . . 10.0 109.886 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -69.91 -32.72 71.18 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.409 -0.807 . . . . 10.0 112.814 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -59.65 -35.95 75.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.971 0.908 . . . . 10.0 111.826 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.72 -41.81 36.53 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.023 0.929 . . . . 10.0 112.699 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -64.23 -43.45 94.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.892 1.277 . . . . 10.0 113.45 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.22 -36.95 84.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.469 0.707 . . . . 10.0 111.259 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.16 -46.14 88.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.528 1.131 . . . . 10.0 111.727 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.74 -31.64 72.95 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.372 0.879 . . . . 10.0 113.372 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.33 -35.12 67.25 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.068 1.304 . . . . 10.0 113.102 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -61.57 -38.12 86.36 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.54 1.136 . . . . 10.0 113.347 172.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.98 -38.06 37.77 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.268 0.627 . . . . 10.0 112.54 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -59.99 -34.97 74.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.956 1.303 . . . . 10.0 112.121 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -54.74 -41.61 70.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.288 1.035 . . . . 10.0 112.846 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 t -68.34 -48.29 65.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.648 0.779 . . . . 10.0 111.36 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -29.41 70.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.89 -36.55 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.839 1.256 . . . . 10.0 111.413 171.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.84 -27.71 60.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.036 0.934 . . . . 10.0 112.82 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -58.77 -31.42 68.36 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.027 0.931 . . . . 10.0 113.381 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.7 tpt -60.91 -26.05 67.18 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -28.55 69.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.892 0.877 . . . . 10.0 113.078 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.65 -38.69 58.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.522 0.729 . . . . 10.0 112.08 171.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.04 -36.26 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.524 1.129 . . . . 10.0 111.786 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.15 -21.81 35.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.644 1.178 . . . . 10.0 113.808 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -58.38 -21.22 49.44 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.349 1.06 . . . . 10.0 113.613 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.6 p -68.9 -20.0 64.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.778 1.399 . . . . 10.0 114.778 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 139.56 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.159 0.984 . . . . 10.0 109.393 176.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.72 37.76 0.18 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.94 1.696 . . . . 10.0 113.665 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.93 1.58 12.44 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.413 -1.429 . . . . 10.0 114.568 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -60.41 167.44 2.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.924 1.69 . . . . 10.0 113.926 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -68.44 23.75 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.409 2.284 . . . . 10.0 115.832 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -71.03 7.59 1.16 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.598 1.559 . . . . 10.0 112.659 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -137.3 142.67 41.9 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.895 2.478 . . . . 10.0 109.249 -170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -136.49 165.04 26.75 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.809 1.244 . . . . 10.0 111.826 -172.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.075 1.75 . . . . 10.0 111.793 -174.186 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 ttm . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -71.04 -37.32 72.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.364 1.066 . . . . 10.0 113.45 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.31 157.23 31.03 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.108 1.763 . . . . 10.0 111.0 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.21 165.23 32.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.838 2.359 . . . . 10.0 111.909 173.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.59 157.18 1.54 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.654 3.569 . . . . 10.0 115.232 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.1 p -138.02 159.74 67.24 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 125.705 1.602 . . . . 10.0 112.009 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.18 153.69 20.74 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.955 3.77 . . . . 10.0 114.55 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.3 mt -139.99 161.92 36.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.459 1.504 . . . . 10.0 112.194 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 9' ' ' LEU . 1.5 pt? -98.16 21.21 11.17 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.784 2.034 . . . . 10.0 113.69 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 176.28 0.36 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.025 1.73 . . . . 10.0 114.072 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -49.23 -39.44 30.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.466 1.506 . . . . 10.0 114.895 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -67.83 -6.82 23.35 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -121.11 -38.24 2.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.079 1.752 . . . . 10.0 111.472 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -57.32 -30.09 64.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.145 1.378 . . . . 10.0 113.207 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.8 p -54.88 -23.47 18.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.94 1.296 . . . . 10.0 114.357 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.62 6.67 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.146 1.831 . . . . 10.0 115.343 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -54.08 -21.7 9.11 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.238 1.815 . . . . 10.0 114.361 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.02 -41.24 1.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.065 1.746 . . . . 10.0 111.863 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -54.16 -19.74 5.57 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.956 1.702 . . . . 10.0 114.556 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.3 -33.76 16.66 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.612 1.101 . . . . 10.0 114.519 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.04 -28.4 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.031 0.932 . . . . 10.0 113.222 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.33 -35.68 11.83 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.026 1.298 . . . . 10.0 112.878 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -55.4 -21.84 17.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.362 1.065 . . . . 10.0 113.386 173.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.88 58.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -90.34 -18.62 25.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.772 1.169 . . . . 10.0 111.684 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.98 2.93 1.76 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.229 1.812 . . . . 10.0 113.945 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.38 -27.77 25.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.5 1.52 . . . . 10.0 114.868 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.58 -13.9 66.34 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 124.842 1.21 . . . . 10.0 115.303 172.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.04 -13.45 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.862 2.065 . . . . 10.0 112.224 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.91 -24.0 5.73 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.167 1.387 . . . . 10.0 112.788 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.01 -39.91 69.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.304 1.842 . . . . 10.0 114.179 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -36.66 35.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.48 1.512 . . . . 10.0 110.509 175.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -62.05 -36.08 80.56 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.547 -0.72 . . . . 10.0 111.916 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -64.04 -41.97 97.21 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.379 1.472 . . . . 10.0 111.934 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.98 -41.07 95.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 10.0 111.747 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.5 tp -72.35 -37.47 68.83 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.49 -33.16 74.54 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.516 0.727 . . . . 10.0 111.91 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.98 -42.63 97.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.919 0.782 . . . . 10.0 110.522 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.22 85.65 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 122.103 -0.373 . . . . 10.0 111.398 172.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.63 -25.89 65.96 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.99 1.316 . . . . 10.0 112.501 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.57 34.84 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 169.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.7 -33.5 75.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.497 1.044 . . . . 10.0 108.511 169.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.73 -36.12 70.37 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 125.058 1.343 . . . . 10.0 111.875 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -62.97 -38.23 90.29 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 119.512 -1.993 . . . . 10.0 111.032 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.31 -32.24 72.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.742 0.817 . . . . 10.0 113.156 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -151.23 89.89 4.16 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.474 1.51 . . . . 10.0 111.984 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -48.79 -24.37 6.9 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.693 3.595 . . . . 10.0 118.379 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -129.96 28.2 5.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 116.109 1.892 . . . . 10.0 116.109 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.3 70.08 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 105.434 -2.061 . . . . 10.0 105.434 167.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.54 -26.53 28.52 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 121.674 1.582 . . . . 10.0 115.17 -168.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -40.9 41.25 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.857 1.208 . . . . 10.0 110.917 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.75 79.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 119.653 1.115 . . . . 10.0 111.875 170.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -36.01 40.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.021 0.928 . . . . 10.0 110.791 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.67 97.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.788 0.835 . . . . 10.0 110.791 169.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.23 -53.92 37.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.512 1.525 . . . . 10.0 111.041 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.94 -44.32 78.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.892 -1.051 . . . . 10.0 112.491 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.03 -39.81 93.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.645 1.566 . . . . 10.0 112.835 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.53 -46.78 71.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.824 1.25 . . . . 10.0 112.296 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 39' ' ' ALA . 94.6 mt -68.64 -35.36 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.87 0.868 . . . . 10.0 110.059 175.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 38.1 ttm -69.15 -33.84 74.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 118.805 0.729 . . . . 10.0 112.761 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -58.57 -47.46 84.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.548 0.739 . . . . 10.0 110.603 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.24 -42.85 92.96 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.75 -49.35 78.07 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.505 1.122 . . . . 10.0 111.911 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -68.69 -38.31 80.21 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.115 0.566 . . . . 10.0 111.29 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.32 -48.77 79.8 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.436 1.094 . . . . 10.0 111.134 172.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -65.75 -36.75 84.45 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.97 -44.56 87.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.207 1.003 . . . . 10.0 111.938 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -64.86 -39.36 93.43 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.59 71.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -63.97 -43.55 95.43 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.93 0.892 . . . . 10.0 111.649 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.8 m -64.05 -38.13 89.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.209 0.604 . . . . 10.0 112.07 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.6 m -66.79 -40.88 88.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.29 0.636 . . . . 10.0 112.398 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.65 -35.93 79.35 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.106 -0.996 . . . . 10.0 112.382 174.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.08 -48.87 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.088 1.355 . . . . 10.0 111.61 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -68.04 -32.32 72.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.486 1.039 . . . . 10.0 113.365 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -107.4 11.49 28.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.32 . . . . 10.0 113.525 -171.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -52.49 -34.78 50.93 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.204 1.365 . . . . 10.0 113.911 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -59.91 -12.46 7.78 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.041 2.136 . . . . 10.0 115.487 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.08 17.08 6.15 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.53 2.332 . . . . 10.0 111.583 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.71 -41.7 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.554 1.942 . . . . 10.0 109.667 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.59 -24.81 64.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.241 -0.912 . . . . 10.0 112.7 171.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -80.33 -9.82 59.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.236 1.814 . . . . 10.0 114.934 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -140.78 -8.71 1.06 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.5 tp -53.76 141.52 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 125.285 1.434 . . . . 10.0 111.906 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -62.29 162.31 10.05 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.97 22.61 14.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.952 1.301 . . . . 10.0 112.694 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -145.66 170.14 17.06 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.915 1.686 . . . . 10.0 111.423 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -110.88 37.49 2.78 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.388 1.475 . . . . 10.0 112.334 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.28 -32.51 72.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.834 1.253 . . . . 10.0 113.903 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -85.67 149.74 25.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.263 1.025 . . . . 10.0 112.507 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.7 161.23 38.62 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.985 1.714 . . . . 10.0 110.833 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 126.66 1.984 . . . . 10.0 110.942 179.008 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.161 0.029 . . . . 10.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 p -76.35 -30.63 57.69 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -74.32 154.66 88.09 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.679 1.192 . . . . 10.0 113.863 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.97 156.93 21.94 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.868 3.045 . . . . 10.0 112.388 168.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.05 -21.78 7.78 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.935 2.423 . . . . 10.0 115.774 -169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 p -75.9 150.82 83.99 Favored Pre-proline 0 N--CA 1.479 0.985 0 CA-C-N 119.719 1.145 . . . . 10.0 113.249 -173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.78 -38.48 91.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.29 3.327 . . . . 10.0 114.347 -176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.8 -21.08 62.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.74 1.616 . . . . 10.0 113.514 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.7 mt -125.11 11.73 8.24 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.449 1.9 . . . . 10.0 112.44 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 16.22 2.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.307 1.843 . . . . 10.0 112.681 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.99 -18.79 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.597 1.703 . . . . 10.0 115.597 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -58.59 -31.25 67.86 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.361 -0.837 . . . . 10.0 113.153 170.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -71.98 -26.2 62.15 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.108 0.963 . . . . 10.0 112.624 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -62.79 -25.16 68.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.126 -0.984 . . . . 10.0 113.201 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -56.03 -29.59 60.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.347 1.059 . . . . 10.0 113.67 170.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.58 57.94 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.754 0.693 . . . . 10.0 112.616 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -66.35 -39.2 89.04 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.752 0.821 . . . . 10.0 112.387 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.28 -39.49 93.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.399 1.079 . . . . 10.0 112.406 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -65.04 -40.1 94.29 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.75 -0.594 . . . . 10.0 111.586 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.78 48.72 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.816 1.198 . . . . 10.0 113.844 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.0 tt -71.08 -21.04 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.953 0.877 . . . . 10.0 112.546 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.51 -41.86 33.97 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.609 1.576 . . . . 10.0 114.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -71.16 -23.68 62.11 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.534 1.167 . . . . 10.0 114.022 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.27 27.78 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.524 0.73 . . . . 10.0 112.12 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.19 -36.08 79.01 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -47.7 -42.42 24.94 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.241 2.216 . . . . 10.0 113.258 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.42 -7.1 17.19 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.139 1.162 . . . . 10.0 114.139 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.59 -1.24 27.61 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 126.788 2.137 . . . . 10.0 114.456 171.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -121.65 -0.19 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.151 1.475 . . . . 10.0 114.447 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -53.8 -26.96 26.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.419 1.087 . . . . 10.0 111.883 168.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.96 -37.57 66.66 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.215 2.206 . . . . 10.0 114.113 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -43.0 96.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.291 1.036 . . . . 10.0 110.922 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.05 -37.21 81.81 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.673 -0.642 . . . . 10.0 111.7 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.36 -37.54 77.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.76 . . . . 10.0 112.899 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.48 -41.41 94.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.859 0.864 . . . . 10.0 111.475 170.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -69.96 -37.95 75.97 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -64.58 -35.55 81.36 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.52 0.6 . . . . 10.0 111.803 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.26 -38.22 87.33 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.412 -0.805 . . . . 10.0 111.985 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.8 88.49 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.346 -0.846 . . . . 10.0 111.125 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.02 -25.68 67.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 125.466 1.506 . . . . 10.0 112.364 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -37.22 34.08 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 169.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -62.86 -34.46 77.42 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.8 1.182 . . . . 10.0 108.579 168.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.75 -35.66 72.75 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 124.699 1.199 . . . . 10.0 112.241 169.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -64.29 -38.28 90.48 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 119.38 -2.075 . . . . 10.0 110.999 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -32.93 72.58 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.877 0.871 . . . . 10.0 113.015 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -150.86 90.28 4.21 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.513 1.525 . . . . 10.0 112.308 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -48.94 -24.18 6.96 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 124.742 3.628 . . . . 10.0 118.33 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.7 p -130.17 27.89 5.06 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 116.221 1.934 . . . . 10.0 116.221 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.69 124.9 78.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 106.006 -1.85 . . . . 10.0 106.006 167.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.87 -27.83 25.44 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 121.515 1.477 . . . . 10.0 115.537 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -75.2 -42.46 55.61 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.141 1.337 . . . . 10.0 110.975 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 119.555 1.071 . . . . 10.0 111.793 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -36.39 40.59 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.885 0.874 . . . . 10.0 110.869 -177.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.53 96.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.067 0.947 . . . . 10.0 111.165 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.77 -53.78 35.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.606 1.562 . . . . 10.0 110.893 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.39 -44.99 72.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.11 -0.948 . . . . 10.0 112.678 171.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -64.93 -39.31 93.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.274 1.397 . . . . 10.0 112.739 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 67.2 ttp -68.08 -46.06 72.08 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.548 1.139 . . . . 10.0 112.65 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -68.24 -35.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 123.922 0.889 . . . . 10.0 109.796 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.7 ttm -68.28 -34.89 76.99 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.457 -0.777 . . . . 10.0 113.054 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.7 m -61.15 -33.76 73.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.18 0.992 . . . . 10.0 112.089 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.16 -42.37 31.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.635 0.774 . . . . 10.0 112.679 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.36 -47.43 81.65 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.451 1.5 . . . . 10.0 112.39 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.68 -30.45 70.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.06 -47.47 84.56 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.542 1.137 . . . . 10.0 112.212 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -79.28 -24.36 42.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.781 1.233 . . . . 10.0 112.518 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.9 tpt85 -61.8 -34.79 76.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.42 -34.79 78.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.136 0.974 . . . . 10.0 113.097 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.13 50.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.045 0.538 . . . . 10.0 112.334 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -57.27 -33.92 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.369 1.468 . . . . 10.0 113.015 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.6 m -52.94 -32.61 46.71 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -62.54 -40.11 95.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.941 0.896 . . . . 10.0 112.621 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -38.54 26.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.838 0.855 . . . . 10.0 112.714 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.95 -36.99 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.169 1.388 . . . . 10.0 112.189 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -54.51 -41.42 69.62 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.025 1.284 . . . . 10.0 112.671 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 m -72.97 -9.53 58.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.015 1.326 . . . . 10.0 114.561 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 tpt -112.47 -39.2 4.44 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.906 1.282 . . . . 10.0 112.312 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.01 -33.78 69.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.986 1.314 . . . . 10.0 112.621 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.29 -24.26 58.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.722 1.209 . . . . 10.0 113.887 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mm -98.99 -45.15 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.29 1.436 . . . . 10.0 110.805 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.13 -27.77 67.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.041 1.337 . . . . 10.0 113.548 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.2 t -51.64 -26.88 9.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.432 1.493 . . . . 10.0 113.828 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -63.36 -16.51 60.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.994 1.317 . . . . 10.0 114.141 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.7 -12.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.165 1.386 . . . . 10.0 113.249 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 65.24 0.81 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.612 1.565 . . . . 10.0 111.339 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -150.48 168.02 25.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.633 1.973 . . . . 10.0 111.335 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -149.51 174.42 12.52 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.559 1.144 . . . . 10.0 111.774 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -144.1 147.69 34.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.723 1.609 . . . . 10.0 110.673 -175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.42 137.13 46.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.872 0.869 . . . . 10.0 112.613 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -143.55 167.7 21.62 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.756 1.622 . . . . 10.0 111.355 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.95 156.09 42.29 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.0 1.32 . . . . 10.0 112.27 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.855 1.662 . . . . 10.0 111.307 -179.143 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.412 0.149 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -71.47 -6.1 37.89 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.65 1.352 . . . . 10.0 114.65 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -146.36 161.38 38.96 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.139 2.176 . . . . 10.0 110.854 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.15 160.99 47.68 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.439 2.092 . . . . 10.0 111.48 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.43 -19.24 37.96 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.252 2.634 . . . . 10.0 113.68 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.6 p -67.53 156.96 87.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 124.352 1.061 . . . . 10.0 113.391 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.35 -29.32 83.76 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 124.528 3.485 . . . . 10.0 114.407 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 tp -154.95 161.77 41.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.746 2.018 . . . . 10.0 109.809 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.52 14.35 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.441 1.896 . . . . 10.0 114.594 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -21.88 12.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.402 1.481 . . . . 10.0 114.112 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.02 -15.54 33.29 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.698 1.599 . . . . 10.0 114.243 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -134.7 -22.72 1.64 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 10.0 114.258 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -54.23 -28.31 40.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.125 1.37 . . . . 10.0 114.687 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -53.02 -30.17 33.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.904 1.282 . . . . 10.0 113.707 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -66.14 -10.37 40.37 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.849 1.66 . . . . 10.0 113.77 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.71 -43.12 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.228 1.394 . . . . 10.0 112.5 170.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -59.68 -54.28 48.25 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.097 0.948 . . . . 10.0 113.184 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.69 -30.06 68.64 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.843 -0.536 . . . . 10.0 112.105 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.12 -39.6 95.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.842 0.857 . . . . 10.0 111.665 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -45.22 96.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.606 1.098 . . . . 10.0 113.13 173.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.0 -44.56 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.578 0.751 . . . . 10.0 111.336 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.47 -47.09 92.84 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.801 1.191 . . . . 10.0 113.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -57.75 -32.45 67.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.016 1.326 . . . . 10.0 113.15 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.12 -11.33 60.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -87.05 8.3 24.07 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.463 0.705 . . . . 10.0 112.851 169.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -139.73 -43.61 0.44 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.618 . . . . 10.0 113.45 -169.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.61 -32.7 65.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.01 1.324 . . . . 10.0 113.484 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 -6.74 62.21 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.232 1.396 . . . . 10.0 115.423 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -19.84 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 118.864 1.332 . . . . 10.0 113.989 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -56.84 -21.64 30.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.383 1.073 . . . . 10.0 111.564 168.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.7 -40.75 29.46 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.964 1.706 . . . . 10.0 113.774 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -43.43 95.22 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.707 0.803 . . . . 10.0 110.72 178.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -65.48 -33.96 77.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.36 -0.838 . . . . 10.0 112.295 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.13 -39.33 89.79 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.842 0.857 . . . . 10.0 112.505 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.5 -40.7 87.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.916 0.886 . . . . 10.0 111.355 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.33 -38.05 71.7 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.66 0.784 . . . . 10.0 112.879 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.94 -32.93 74.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.547 0.612 . . . . 10.0 112.188 170.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.98 -36.97 83.37 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.206 -0.934 . . . . 10.0 111.837 169.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.46 -47.13 87.46 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.332 -0.855 . . . . 10.0 110.811 169.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.92 -24.97 67.69 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.436 1.494 . . . . 10.0 112.31 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.39 -37.33 32.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -63.6 -33.55 75.86 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.723 1.147 . . . . 10.0 108.607 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.8 -37.36 73.26 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 124.729 1.212 . . . . 10.0 112.005 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -62.81 -38.0 88.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.779 -1.826 . . . . 10.0 111.032 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -59.87 -34.07 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -151.24 86.49 4.78 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.315 1.446 . . . . 10.0 111.59 174.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -47.06 -23.52 2.77 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.89 3.727 . . . . 10.0 119.439 -169.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -130.07 31.05 4.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 124.4 82.0 Favored Pre-proline 0 N--CA 1.47 0.538 0 N-CA-C 105.445 -2.057 . . . . 10.0 105.445 167.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.98 -25.46 27.55 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.695 1.597 . . . . 10.0 115.363 -168.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 m -78.72 -41.07 31.9 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.883 1.22 . . . . 10.0 110.858 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.7 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.465 1.03 . . . . 10.0 111.765 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -35.15 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.213 1.005 . . . . 10.0 110.806 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.43 98.46 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.873 0.869 . . . . 10.0 110.79 169.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.68 -53.5 40.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.624 1.57 . . . . 10.0 110.949 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.39 -46.01 73.01 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.909 -1.043 . . . . 10.0 112.442 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -64.61 -39.79 94.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.527 1.512 . . . . 10.0 112.693 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.87 -47.3 75.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.694 1.198 . . . . 10.0 112.575 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.8 mt -69.08 -35.52 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.738 0.815 . . . . 10.0 109.748 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.0 ttm -68.39 -33.95 75.17 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -59.72 -45.66 91.48 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.861 0.755 . . . . 10.0 110.93 169.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.5 -44.81 89.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.29 0.636 . . . . 10.0 112.564 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.6 -48.2 82.82 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.42 1.088 . . . . 10.0 112.534 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -70.68 -38.72 73.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.477 0.711 . . . . 10.0 110.903 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.952 0.901 . . . . 10.0 112.185 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.55 -49.03 78.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.569 0.622 . . . . 10.0 112.101 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -45.48 84.49 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.532 1.133 . . . . 10.0 112.741 174.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.65 -49.69 75.52 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.559 1.144 . . . . 10.0 112.42 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.31 81.65 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.06 -39.13 81.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.386 1.074 . . . . 10.0 112.21 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 m -74.48 -47.5 32.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.407 0.683 . . . . 10.0 111.888 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -61.95 -44.14 97.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.704 1.202 . . . . 10.0 112.647 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.19 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.55 -50.57 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.455 1.502 . . . . 10.0 110.538 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.94 -22.86 67.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.1 1.36 . . . . 10.0 114.31 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -118.52 11.95 13.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.938 1.695 . . . . 10.0 113.014 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.18 -38.37 57.59 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.383 1.073 . . . . 10.0 113.606 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.35 -23.24 66.94 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.027 1.331 . . . . 10.0 114.078 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -87.84 -41.29 13.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.562 1.145 . . . . 10.0 111.459 172.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -34.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.029 0.932 . . . . 10.0 111.848 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.84 -16.82 19.06 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.3 1.44 . . . . 10.0 114.814 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.5 m -125.49 -8.39 6.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.811 1.644 . . . . 10.0 113.836 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m -138.82 43.12 2.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 10.0 111.159 -173.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.6 tp -60.02 -21.39 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 126.352 1.861 . . . . 10.0 114.837 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.39 154.67 27.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.121 1.368 . . . . 10.0 113.261 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -131.92 6.25 4.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.795 1.238 . . . . 10.0 113.572 -173.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -138.19 169.26 18.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 10.0 112.967 -169.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -146.86 165.33 30.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.11 1.764 . . . . 10.0 110.816 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -58.66 158.35 8.01 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.936 1.294 . . . . 10.0 112.888 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -62.84 -23.91 67.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.581 1.326 . . . . 10.0 114.581 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -145.63 172.88 12.62 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.383 1.473 . . . . 10.0 111.532 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.338 0 C-N-CA 125.607 1.563 . . . . 10.0 113.145 -172.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.333 0.111 . . . . 10.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -138.06 -9.34 1.54 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.062 1.345 . . . . 10.0 114.388 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.91 152.3 25.15 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.008 1.723 . . . . 10.0 110.782 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.45 137.16 48.46 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.099 3.2 . . . . 10.0 114.442 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 160.92 6.37 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.867 3.045 . . . . 10.0 114.179 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -137.7 158.04 72.43 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 125.095 1.358 . . . . 10.0 112.191 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.78 152.14 23.57 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.725 3.617 . . . . 10.0 114.796 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.5 13.98 11.03 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 10.0 113.172 -173.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.77 12.98 6.35 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.975 1.71 . . . . 10.0 114.135 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.31 -20.48 3.0 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.247 1.419 . . . . 10.0 113.721 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.77 -19.7 61.31 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.31 1.044 . . . . 10.0 113.102 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -148.44 149.56 31.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.036 1.734 . . . . 10.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.11 -169.14 3.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.123 1.769 . . . . 10.0 111.27 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -66.09 28.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.794 2.438 . . . . 10.0 117.186 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -52.1 -33.25 38.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.755 1.622 . . . . 10.0 115.275 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.68 -52.18 36.06 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.014 0.816 . . . . 10.0 112.611 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -66.04 -33.98 77.04 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.058 0.929 . . . . 10.0 112.941 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.42 -22.82 55.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.651 1.18 . . . . 10.0 112.964 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -95.54 -43.94 7.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.408 1.083 . . . . 10.0 111.249 169.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.75 -32.62 58.94 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.283 1.897 . . . . 10.0 115.256 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.76 -24.62 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 125.031 1.332 . . . . 10.0 113.428 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.53 61.14 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.751 1.167 . . . . 10.0 114.066 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.42 37.06 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 10.0 112.54 173.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.97 67.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.7 -26.51 68.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.599 1.09 . . . . 10.0 113.936 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.25 -18.19 61.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.5 1.12 . . . . 10.0 113.45 172.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -98.06 -37.97 9.54 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.108 -0.995 . . . . 10.0 111.702 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 37.37 0.1 OUTLIER Glycine 0 CA--C 1.539 1.571 0 C-N-CA 130.407 3.86 . . . . 10.0 116.183 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -146.62 -47.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 128.781 2.832 . . . . 10.0 109.598 -171.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -73.28 -41.92 63.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.045 1.338 . . . . 10.0 108.305 168.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.55 -36.15 73.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.683 2.393 . . . . 10.0 113.617 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -43.76 95.05 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.002 1.321 . . . . 10.0 111.072 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.14 -24.39 67.87 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.82 -57.86 5.57 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.898 1.279 . . . . 10.0 110.625 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -68.24 -19.9 64.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.796 1.638 . . . . 10.0 112.812 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -57.77 -34.92 70.08 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.95 1.25 . . . . 10.0 112.795 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.2 -24.4 66.3 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 173.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -94.59 -44.94 7.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.658 1.183 . . . . 10.0 112.218 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -62.69 -31.92 72.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.228 1.411 . . . . 10.0 113.232 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -58.77 -25.17 62.8 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -60.18 -28.55 68.05 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.636 1.174 . . . . 10.0 113.047 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.62 -31.51 15.85 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.679 1.192 . . . . 10.0 113.226 173.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.02 -32.32 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.81 1.244 . . . . 10.0 111.752 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m -96.11 -0.68 49.91 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 tt -145.18 -11.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -170.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -62.71 -7.9 5.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.507 2.41 . . . . 10.0 117.507 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.53 136.83 58.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.58 1.152 . . . . 10.0 113.126 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -59.96 125.66 24.51 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.8 0.84 . . . . 10.0 111.447 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -17.42 48.86 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -176.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -69.11 158.8 34.14 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.384 1.073 . . . . 10.0 113.01 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -140.81 8.25 2.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.848 1.259 . . . . 10.0 114.223 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -151.53 154.07 35.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.498 1.519 . . . . 10.0 110.716 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.694 1.598 . . . . 10.0 111.922 -173.137 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.333 0.111 . . . . 10.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -138.06 -9.34 1.54 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.062 1.345 . . . . 10.0 114.388 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.91 152.3 25.15 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.008 1.723 . . . . 10.0 110.782 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.45 137.16 48.46 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.099 3.2 . . . . 10.0 114.442 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 160.92 6.37 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.867 3.045 . . . . 10.0 114.179 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -137.7 158.04 72.43 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 125.095 1.358 . . . . 10.0 112.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.78 152.14 23.57 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.725 3.617 . . . . 10.0 114.796 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.5 13.98 11.03 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 10.0 113.172 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.77 12.98 6.35 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.975 1.71 . . . . 10.0 114.135 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.31 -20.48 3.0 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.247 1.419 . . . . 10.0 113.721 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.77 -19.7 61.31 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.31 1.044 . . . . 10.0 113.102 171.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -148.44 149.56 31.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.036 1.734 . . . . 10.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.11 -169.14 3.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.123 1.769 . . . . 10.0 111.27 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -66.09 28.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.794 2.438 . . . . 10.0 117.186 -169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -52.1 -33.25 38.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.755 1.622 . . . . 10.0 115.275 -175.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.68 -52.18 36.06 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.014 0.816 . . . . 10.0 112.611 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -66.04 -33.98 77.04 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.058 0.929 . . . . 10.0 112.941 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.42 -22.82 55.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.651 1.18 . . . . 10.0 112.964 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -95.54 -43.94 7.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.408 1.083 . . . . 10.0 111.249 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.75 -32.62 58.94 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.283 1.897 . . . . 10.0 115.256 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.76 -24.62 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 125.031 1.332 . . . . 10.0 113.428 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.53 61.14 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.751 1.167 . . . . 10.0 114.066 169.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.42 37.06 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 10.0 112.54 173.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.97 67.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.7 -26.51 68.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.599 1.09 . . . . 10.0 113.936 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.25 -18.19 61.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.5 1.12 . . . . 10.0 113.45 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -98.06 -37.97 9.54 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.108 -0.995 . . . . 10.0 111.702 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 37.37 0.1 OUTLIER Glycine 0 CA--C 1.539 1.571 0 C-N-CA 130.407 3.86 . . . . 10.0 116.183 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -146.62 -47.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 128.781 2.832 . . . . 10.0 109.598 -171.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -73.28 -41.92 63.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.045 1.338 . . . . 10.0 108.305 168.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.55 -36.15 73.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.683 2.393 . . . . 10.0 113.617 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -43.76 95.05 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.002 1.321 . . . . 10.0 111.072 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.14 -24.39 67.87 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.82 -57.86 5.57 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.898 1.279 . . . . 10.0 110.625 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -68.24 -19.9 64.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.796 1.638 . . . . 10.0 112.812 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -57.77 -34.92 70.08 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.95 1.25 . . . . 10.0 112.795 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.2 -24.4 66.3 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -94.59 -44.94 7.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.658 1.183 . . . . 10.0 112.218 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -62.69 -31.92 72.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.228 1.411 . . . . 10.0 113.232 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -58.77 -25.17 62.8 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -60.18 -28.55 68.05 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.636 1.174 . . . . 10.0 113.047 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.62 -31.51 15.85 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.679 1.192 . . . . 10.0 113.226 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.02 -32.32 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.81 1.244 . . . . 10.0 111.752 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m -96.11 -0.68 49.91 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 tt -145.18 -11.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -170.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -62.71 -7.9 5.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.507 2.41 . . . . 10.0 117.507 -175.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.53 136.83 58.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.58 1.152 . . . . 10.0 113.126 -175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -59.96 125.66 24.51 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.8 0.84 . . . . 10.0 111.447 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -17.42 48.86 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -69.11 158.8 34.14 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.384 1.073 . . . . 10.0 113.01 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -140.81 8.25 2.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.848 1.259 . . . . 10.0 114.223 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -151.53 154.07 35.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.498 1.519 . . . . 10.0 110.716 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.694 1.598 . . . . 10.0 111.922 -173.137 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.431 0.158 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -71.1 -26.48 63.06 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.784 1.402 . . . . 10.0 114.784 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -157.46 159.58 30.74 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.571 1.549 . . . . 10.0 111.656 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.79 162.08 38.16 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 123.027 2.485 . . . . 10.0 111.613 170.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.27 172.94 15.04 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.58 2.853 . . . . 10.0 112.671 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.3 p -134.29 156.63 78.82 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 125.768 1.627 . . . . 10.0 110.999 172.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -50.51 -35.99 47.71 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.689 3.593 . . . . 10.0 115.672 -173.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.74 -24.61 15.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.044 1.337 . . . . 10.0 113.771 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.39 -34.65 75.71 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.05 -0.976 . . . . 10.0 113.557 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.25 -6.28 0.16 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 117.404 2.372 . . . . 10.0 117.404 -169.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.73 -21.01 54.07 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 121.061 1.755 . . . . 10.0 115.186 -172.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -75.47 -0.38 19.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.175 1.79 . . . . 10.0 114.903 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.14 -21.73 5.37 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.607 2.077 . . . . 10.0 116.607 -171.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -63.35 -23.92 67.62 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.055 1.342 . . . . 10.0 113.803 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 t -57.11 109.92 0.74 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.163 1.385 . . . . 10.0 111.659 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.72 -29.55 2.11 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.752 1.168 . . . . 10.0 114.36 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -60.86 -26.75 67.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.799 1.239 . . . . 10.0 113.673 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 tp -144.54 142.18 30.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.725 2.81 . . . . 10.0 107.182 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -148.68 29.52 0.84 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.323 1.049 . . . . 10.0 111.862 -169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.33 39.75 93.1 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 120.836 -1.165 . . . . 10.0 112.058 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.325 19.5 tt 0.01 71.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 130.536 3.534 . . . . 10.0 116.299 -168.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.83 -37.17 0.17 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 127.04 2.257 . . . . 10.0 111.435 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 -58.97 -12.27 4.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.805 1.642 . . . . 10.0 112.824 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.35 65.27 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.18 4.62 14.3 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.191 0.905 . . . . 10.0 112.797 169.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -133.15 17.47 4.1 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.076 2.95 . . . . 10.0 110.145 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -55.76 -30.5 61.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.802 1.641 . . . . 10.0 114.618 -171.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.65 -12.81 59.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.607 1.098 . . . . 10.0 114.758 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.93 -11.09 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.041 1.736 . . . . 10.0 112.591 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -49.25 -34.28 14.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.411 1.484 . . . . 10.0 111.831 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.65 -48.62 66.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.616 1.966 . . . . 10.0 114.552 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -34.44 42.06 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.576 1.55 . . . . 10.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.17 -38.03 89.56 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.661 -0.649 . . . . 10.0 111.599 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.01 -41.64 90.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.743 1.217 . . . . 10.0 112.313 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.0 -41.3 96.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.639 0.776 . . . . 10.0 112.054 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.43 -36.97 68.7 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.28 1.032 . . . . 10.0 113.047 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.23 -34.01 77.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.294 0.638 . . . . 10.0 111.616 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.25 -36.57 81.89 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.405 -0.809 . . . . 10.0 111.761 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.38 89.91 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.53 -0.732 . . . . 10.0 110.657 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.25 -24.67 66.63 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.385 1.474 . . . . 10.0 112.39 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -38.18 32.38 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.947 1.249 . . . . 10.0 113.803 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.85 -32.47 73.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.89 1.223 . . . . 10.0 109.107 169.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.61 -36.63 68.12 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.54 1.136 . . . . 10.0 111.867 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -63.14 -37.91 89.11 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 119.373 -2.079 . . . . 10.0 111.091 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -61.28 -32.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.513 1.125 . . . . 10.0 112.598 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -152.39 91.22 3.62 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.859 1.664 . . . . 10.0 112.049 169.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -48.69 -24.28 6.59 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 124.73 3.62 . . . . 10.0 118.35 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -130.15 27.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.73 124.55 76.74 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 105.55 -2.019 . . . . 10.0 105.55 167.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.16 -27.08 25.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 121.548 1.499 . . . . 10.0 115.229 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 m -76.49 -40.77 49.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.816 1.189 . . . . 10.0 110.961 170.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.49 80.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 119.498 1.044 . . . . 10.0 111.885 170.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -35.33 44.05 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.919 0.888 . . . . 10.0 110.779 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.67 98.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.022 0.929 . . . . 10.0 110.963 169.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -64.92 -54.09 36.19 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.458 1.503 . . . . 10.0 110.986 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -55.33 -44.41 75.85 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.8 171.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -66.54 -37.96 86.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.282 1.401 . . . . 10.0 112.783 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.0 ttp -66.21 -48.61 70.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.533 1.133 . . . . 10.0 112.289 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.3 mt -68.21 -36.69 76.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 123.663 0.785 . . . . 10.0 109.819 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.6 -34.72 76.28 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.025 0.829 . . . . 10.0 113.074 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -59.89 -47.99 83.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.897 0.879 . . . . 10.0 110.669 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.66 -43.81 92.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.73 -47.98 83.48 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.687 1.195 . . . . 10.0 112.529 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.91 -37.89 87.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.068 0.547 . . . . 10.0 110.617 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.37 -39.13 93.27 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.559 1.144 . . . . 10.0 112.749 174.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.911 0.778 . . . . 10.0 112.3 173.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.73 -44.02 97.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.301 1.041 . . . . 10.0 112.341 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.56 -45.26 94.89 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.1 0.96 . . . . 10.0 112.59 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.15 75.05 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.98 -31.34 64.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.167 0.987 . . . . 10.0 113.414 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -97.73 -37.08 10.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.567 1.147 . . . . 10.0 112.41 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -62.29 -36.59 82.59 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.285 1.034 . . . . 10.0 112.645 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.04 99.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.413 -0.805 . . . . 10.0 112.923 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.36 -42.25 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.496 1.519 . . . . 10.0 111.11 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.76 -51.65 68.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.576 0.75 . . . . 10.0 111.037 169.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -59.54 -38.06 80.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.271 1.028 . . . . 10.0 113.311 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 ttt -57.1 -46.28 82.72 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.854 0.752 . . . . 10.0 111.964 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.65 -37.4 65.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.474 1.109 . . . . 10.0 112.485 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.8 -46.81 83.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.585 1.154 . . . . 10.0 112.021 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.81 -36.36 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.243 1.017 . . . . 10.0 111.868 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.26 -32.6 74.26 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.464 -0.773 . . . . 10.0 112.702 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t -86.4 -36.04 19.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.022 1.329 . . . . 10.0 113.448 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.9 m -141.41 70.56 1.34 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.66 1.984 . . . . 10.0 110.687 -170.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -27.11 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.826 1.65 . . . . 10.0 114.561 -175.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.8 tp -138.55 153.33 48.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.86 1.664 . . . . 10.0 110.774 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -136.89 175.3 9.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.864 1.665 . . . . 10.0 111.457 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 151.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.065 1.346 . . . . 10.0 114.144 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -88.59 14.75 9.24 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.073 1.349 . . . . 10.0 114.617 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -57.06 149.24 19.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.803 1.241 . . . . 10.0 114.08 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -66.65 157.98 31.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.909 1.284 . . . . 10.0 112.732 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.71 146.27 29.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.285 1.434 . . . . 10.0 111.433 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.235 1.814 . . . . 10.0 112.206 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 110.517 -0.179 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -137.68 28.0 2.71 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.271 1.428 . . . . 10.0 111.876 -173.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -146.97 160.46 40.24 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 126.093 1.757 . . . . 10.0 112.247 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.86 163.32 39.24 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 123.144 2.563 . . . . 10.0 111.84 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -71.21 166.99 27.47 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.374 2.716 . . . . 10.0 112.52 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 72.9 p -138.28 156.48 73.63 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.044 1.337 . . . . 10.0 112.078 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 6' ' ' THR . 61.6 Cg_endo -86.08 14.27 2.5 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.631 3.554 . . . . 10.0 113.43 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 67.38 0.99 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.547 1.939 . . . . 10.0 111.554 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp -144.56 -2.39 0.86 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.168 1.787 . . . . 10.0 112.957 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -13.25 60.93 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.144 1.535 . . . . 10.0 115.144 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.84 -14.96 17.39 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.843 1.794 . . . . 10.0 115.843 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -124.62 -21.68 4.78 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.599 1.16 . . . . 10.0 113.438 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -34.59 74.64 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.147 -0.971 . . . . 10.0 112.113 172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -58.58 -17.47 22.02 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.804 1.242 . . . . 10.0 114.173 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 m -126.22 18.58 7.66 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.486 1.914 . . . . 10.0 112.497 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.85 -37.27 0.04 OUTLIER Glycine 0 N--CA 1.471 1.02 0 N-CA-C 115.817 1.087 . . . . 10.0 115.817 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -61.32 -29.77 70.09 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.278 1.539 . . . . 10.0 113.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.3 -14.3 7.05 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.707 1.373 . . . . 10.0 114.707 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -115.34 -36.06 4.44 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.01 1.724 . . . . 10.0 111.329 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -40.68 36.81 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 126.202 1.858 . . . . 10.0 113.987 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.8 tt -58.53 -16.31 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 N-CA-C 114.298 1.222 . . . . 10.0 114.298 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.91 28.02 5.0 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.668 2.08 . . . . 10.0 113.873 173.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -145.78 -20.59 0.46 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.266 1.826 . . . . 10.0 113.711 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.01 -24.12 15.77 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.811 1.645 . . . . 10.0 115.293 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -66.22 -24.52 66.62 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.47 -22.51 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.562 1.545 . . . . 10.0 112.958 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.2 -24.71 60.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.367 1.067 . . . . 10.0 113.491 174.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.77 -0.65 89.16 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.828 1.204 . . . . 10.0 114.665 172.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -128.87 -10.7 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.492 1.517 . . . . 10.0 113.291 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -52.83 -26.86 15.88 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.024 -1.047 . . . . 10.0 112.342 169.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.51 -42.98 79.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.321 1.448 . . . . 10.0 114.461 170.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.68 -38.23 54.81 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.154 1.382 . . . . 10.0 110.379 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.53 -37.58 87.84 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.499 -0.75 . . . . 10.0 112.09 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -40.68 97.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 10.0 112.22 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.96 -40.37 95.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.012 0.525 . . . . 10.0 111.814 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -73.72 -37.86 65.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.14 -33.2 75.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.857 0.753 . . . . 10.0 112.132 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.75 -38.08 88.12 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.277 -0.889 . . . . 10.0 111.751 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.24 -47.57 85.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.624 -0.673 . . . . 10.0 110.963 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.87 -25.69 66.53 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 125.67 1.588 . . . . 10.0 112.602 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.58 34.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.145 1.339 . . . . 10.0 114.529 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.66 -29.71 70.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.006 1.276 . . . . 10.0 108.669 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tp -74.48 -37.18 63.26 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.97 0.908 . . . . 10.0 111.806 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 m -63.05 -35.88 81.7 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.357 -2.09 . . . . 10.0 110.936 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -35.31 74.01 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.139 1.776 . . . . 10.0 112.429 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -154.34 93.81 2.86 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.756 1.622 . . . . 10.0 111.328 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -48.52 -24.61 6.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.425 3.417 . . . . 10.0 118.213 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.1 p -129.97 28.68 5.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 121.51 56.3 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.376 -2.083 . . . . 10.0 105.376 167.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.93 -26.85 31.2 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 121.717 1.612 . . . . 10.0 114.857 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.1 m -75.9 -42.32 49.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.79 1.177 . . . . 10.0 110.736 170.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.27 76.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.641 1.11 . . . . 10.0 112.131 171.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -35.26 37.91 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 110.908 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.47 99.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.02 0.928 . . . . 10.0 110.885 169.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -65.26 -52.97 51.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.485 1.514 . . . . 10.0 110.877 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -54.47 -45.46 73.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.791 170.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.28 -38.57 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.292 1.406 . . . . 10.0 112.478 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.62 -48.99 67.74 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.309 1.044 . . . . 10.0 112.343 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -69.45 -34.92 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 10.0 110.035 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.8 ttm -70.0 -33.78 72.48 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 121.56 -0.712 . . . . 10.0 112.413 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 m -60.33 -46.58 89.41 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.408 0.683 . . . . 10.0 110.56 169.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.14 -43.39 92.03 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -59.09 -49.11 79.13 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.74 1.216 . . . . 10.0 111.897 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.31 -39.83 74.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.011 0.525 . . . . 10.0 111.161 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.78 -44.04 97.66 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.424 1.09 . . . . 10.0 112.06 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.83 -49.3 78.03 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.383 0.538 . . . . 10.0 111.483 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -57.49 -46.35 83.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.689 0.796 . . . . 10.0 112.388 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.25 -45.44 93.28 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.205 1.002 . . . . 10.0 112.887 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.2 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -64.68 -41.85 95.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.203 1.001 . . . . 10.0 111.633 174.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.8 m -63.47 -41.51 98.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.595 -0.691 . . . . 10.0 112.523 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 t -64.94 -44.97 87.71 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.178 0.991 . . . . 10.0 112.063 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.04 73.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.09 0.956 . . . . 10.0 113.492 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.36 -20.81 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.359 1.064 . . . . 10.0 113.531 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -113.17 -8.07 13.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.296 1.438 . . . . 10.0 114.006 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -140.74 19.55 2.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.541 1.537 . . . . 10.0 113.484 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 tpt -48.66 -48.74 39.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.113 1.365 . . . . 10.0 114.344 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.49 -28.44 66.06 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.54 -44.69 64.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.307 0.643 . . . . 10.0 111.135 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.01 -47.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.238 0.615 . . . . 10.0 110.523 175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.24 -15.72 17.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.672 1.189 . . . . 10.0 114.136 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.0 m -106.8 -10.5 16.05 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.44 1.496 . . . . 10.0 114.354 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m -142.5 -1.94 1.12 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.305 1.965 . . . . 10.0 116.305 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.1 tt -54.11 143.53 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.535 1.134 . . . . 10.0 112.885 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -149.62 166.27 29.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.771 1.628 . . . . 10.0 112.602 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -131.32 1.14 4.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.851 1.261 . . . . 10.0 113.56 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -135.32 152.23 51.27 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.535 1.934 . . . . 10.0 109.986 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -144.12 153.04 41.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.373 1.069 . . . . 10.0 111.825 -170.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -64.56 -35.86 82.34 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.87 0.868 . . . . 10.0 112.831 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -155.75 159.23 39.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.979 1.712 . . . . 10.0 110.351 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -147.58 -3.86 0.53 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -170.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 119.803 1.183 . . . . 10.0 113.014 -176.843 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -64.43 -21.63 66.71 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -149.13 158.84 38.26 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.406 1.882 . . . . 10.0 110.647 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.9 160.63 42.93 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.517 2.145 . . . . 10.0 111.899 172.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.2 -37.42 87.74 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.288 3.325 . . . . 10.0 116.252 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 155.43 81.23 Favored Pre-proline 0 N--CA 1.47 0.573 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -169.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.05 -37.47 92.75 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 124.455 3.437 . . . . 10.0 113.811 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.95 -36.12 76.41 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.562 1.145 . . . . 10.0 112.941 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.89 -5.48 12.67 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.153 1.381 . . . . 10.0 114.128 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.92 8.04 5.64 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.046 1.738 . . . . 10.0 113.063 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.12 -12.3 61.14 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.607 1.163 . . . . 10.0 113.543 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -146.82 163.04 37.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.522 1.929 . . . . 10.0 111.612 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -154.0 -41.59 0.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.268 1.027 . . . . 10.0 112.495 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -134.28 -5.01 2.66 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.263 1.425 . . . . 10.0 114.194 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -56.2 -26.31 50.48 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.57 -33.2 33.08 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.72 1.152 . . . . 10.0 114.823 171.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.58 -37.66 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.401 1.08 . . . . 10.0 112.649 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -70.47 -31.62 68.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.479 1.112 . . . . 10.0 112.165 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -59.98 -34.75 73.72 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.014 0.825 . . . . 10.0 111.614 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.56 -29.28 57.41 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.879 1.704 . . . . 10.0 115.366 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -108.22 -30.04 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.025 1.33 . . . . 10.0 112.891 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.41 -33.3 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.063 1.316 . . . . 10.0 114.037 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -62.37 -13.23 27.01 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.914 1.686 . . . . 10.0 114.624 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -18.85 17.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.593 2.071 . . . . 10.0 116.593 -174.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -69.03 -22.51 64.04 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.809 1.186 . . . . 10.0 113.874 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -82.66 -4.0 57.12 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.684 1.594 . . . . 10.0 113.435 -172.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.57 -24.89 50.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.069 1.878 . . . . 10.0 116.069 -169.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.0 0.48 60.53 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.026 1.298 . . . . 10.0 114.808 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.54 -6.55 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.867 1.667 . . . . 10.0 111.775 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -51.08 -30.27 15.43 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.498 1.519 . . . . 10.0 112.476 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.79 -52.19 64.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.603 1.561 . . . . 10.0 113.061 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -35.51 73.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.29 1.436 . . . . 10.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.35 -40.4 90.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.706 -0.621 . . . . 10.0 111.3 170.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.47 -37.56 80.28 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.422 1.089 . . . . 10.0 112.493 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.11 -42.81 95.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.14 0.576 . . . . 10.0 111.596 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.1 -37.25 69.57 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.929 0.892 . . . . 10.0 112.994 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -66.48 -34.48 78.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.669 0.787 . . . . 10.0 111.455 171.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.73 -37.16 85.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.806 0.73 . . . . 10.0 111.674 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.48 -47.58 85.51 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.477 -0.764 . . . . 10.0 110.782 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -66.78 -24.79 66.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.576 1.551 . . . . 10.0 112.659 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -37.52 33.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.965 1.257 . . . . 10.0 114.258 169.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -64.56 -32.3 73.89 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.65 1.114 . . . . 10.0 109.0 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.1 tp -71.94 -34.34 68.95 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.186 0.995 . . . . 10.0 111.624 168.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -65.3 -38.73 91.14 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 119.264 -2.147 . . . . 10.0 110.994 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -60.81 -32.18 71.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.742 0.817 . . . . 10.0 112.903 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -151.24 89.89 4.16 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.432 1.493 . . . . 10.0 112.431 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -48.91 -24.56 7.4 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 124.695 3.597 . . . . 10.0 118.483 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.3 p -130.02 28.35 5.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 171.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.38 125.01 80.86 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.57 -27.91 26.81 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.742 1.628 . . . . 10.0 115.632 -168.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 m -77.14 -41.29 42.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.99 1.268 . . . . 10.0 111.04 171.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.11 74.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 119.601 1.091 . . . . 10.0 111.743 170.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -35.99 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.949 0.899 . . . . 10.0 111.125 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.79 97.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.037 0.935 . . . . 10.0 111.225 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.58 -53.12 46.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.512 1.525 . . . . 10.0 110.909 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.44 -45.44 73.05 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 118.112 -0.947 . . . . 10.0 112.784 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.33 -38.59 90.61 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.271 1.396 . . . . 10.0 112.579 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.4 ttp -67.64 -48.48 66.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.352 1.061 . . . . 10.0 112.579 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -66.79 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.616 0.766 . . . . 10.0 109.697 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 ttm -68.76 -35.56 77.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.196 0.907 . . . . 10.0 113.07 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -60.67 -45.68 93.24 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.843 0.857 . . . . 10.0 111.246 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -67.48 -41.69 84.17 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.484 0.714 . . . . 10.0 112.678 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.49 -50.62 72.45 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.179 1.392 . . . . 10.0 111.977 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -66.38 -41.64 89.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.867 0.467 . . . . 10.0 111.008 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.19 -49.05 78.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.495 1.118 . . . . 10.0 112.176 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.71 -41.15 84.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.104 0.562 . . . . 10.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -59.99 -42.55 94.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.715 1.206 . . . . 10.0 112.096 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.81 -49.49 74.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.731 0.812 . . . . 10.0 112.561 170.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.37 75.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -60.88 -37.4 82.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.471 1.108 . . . . 10.0 112.213 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -65.29 -46.34 80.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.385 0.674 . . . . 10.0 111.553 173.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.448 -0.782 . . . . 10.0 113.029 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.188 0.811 . . . . 10.0 113.188 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 t -75.19 -45.54 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 125.021 1.328 . . . . 10.0 111.061 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -54.76 -38.96 67.84 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.134 1.374 . . . . 10.0 112.971 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 12.81 19.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.89 1.276 . . . . 10.0 113.518 -171.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.4 ttp -51.08 -44.86 61.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.534 1.134 . . . . 10.0 113.784 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.3 -27.81 69.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.06 -40.28 17.0 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.312 1.045 . . . . 10.0 111.474 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.39 -41.19 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.974 1.31 . . . . 10.0 111.303 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.73 -34.96 76.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.832 0.853 . . . . 10.0 113.133 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -77.92 -35.47 50.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.321 1.048 . . . . 10.0 112.357 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m -79.76 6.57 10.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.059 1.744 . . . . 10.0 114.529 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 tt -54.05 143.81 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.993 1.317 . . . . 10.0 112.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.05 151.01 31.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.59 1.556 . . . . 10.0 113.041 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.58 2.78 8.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.229 1.411 . . . . 10.0 113.93 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -135.14 175.94 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.43 2.292 . . . . 10.0 110.688 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -54.12 132.77 43.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.111 0.964 . . . . 10.0 112.894 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.01 159.95 31.13 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.257 1.023 . . . . 10.0 112.578 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -59.76 142.23 53.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.196 0.998 . . . . 10.0 111.563 169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -158.46 168.97 25.51 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.203 1.401 . . . . 10.0 111.825 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.883 1.673 . . . . 10.0 111.188 179.647 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m -64.85 158.12 25.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.235 1.014 . . . . 10.0 112.798 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -60.8 155.45 52.18 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.576 0.75 . . . . 10.0 112.923 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.14 162.96 40.18 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.032 2.488 . . . . 10.0 111.57 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.4 167.86 24.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.474 2.783 . . . . 10.0 112.931 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.5 p -136.92 159.12 71.36 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.513 1.525 . . . . 10.0 111.813 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.91 154.01 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 125.048 3.832 . . . . 10.0 115.084 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -138.95 175.9 9.15 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.553 1.941 . . . . 10.0 111.313 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.11 102.01 0.19 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.121 1.369 . . . . 10.0 111.557 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.21 172.9 17.66 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.725 1.61 . . . . 10.0 111.641 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -55.53 -28.78 56.82 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -69.93 -4.8 22.2 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.56 -20.65 14.04 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.496 2.036 . . . . 10.0 116.496 -171.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -133.74 -15.15 2.4 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.481 1.289 . . . . 10.0 114.481 -176.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -59.42 -33.33 71.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.369 1.067 . . . . 10.0 113.862 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.36 60.22 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.479 1.038 . . . . 10.0 114.443 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.52 -36.66 69.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.943 1.297 . . . . 10.0 113.448 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.22 -13.04 59.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.7 1.6 . . . . 10.0 113.72 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -116.52 -29.45 6.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.565 1.546 . . . . 10.0 111.671 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.92 -37.45 35.89 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.871 1.701 . . . . 10.0 114.102 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 tp -56.04 -27.35 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.283 1.433 . . . . 10.0 113.995 174.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.48 -38.21 3.31 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.289 1.423 . . . . 10.0 112.939 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -59.86 -18.11 41.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.603 1.161 . . . . 10.0 113.462 174.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.13 -10.75 11.22 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -76.42 -3.84 39.24 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.403 1.001 . . . . 10.0 112.102 168.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -127.88 -21.64 3.66 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.357 1.863 . . . . 10.0 114.293 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -24.79 41.12 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.675 1.732 . . . . 10.0 115.675 -169.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.98 -12.65 65.43 Favored Glycine 0 CA--C 1.539 1.594 0 C-N-CA 124.668 1.128 . . . . 10.0 115.072 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.14 -28.47 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.0 1.32 . . . . 10.0 112.889 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -54.76 -20.05 7.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.746 1.218 . . . . 10.0 111.528 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -45.07 -39.78 6.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.498 2.319 . . . . 10.0 115.13 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -41.17 49.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.073 -1.017 . . . . 10.0 110.734 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.63 -33.78 75.72 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.527 -0.733 . . . . 10.0 111.855 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.41 -48.57 80.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.704 1.202 . . . . 10.0 110.817 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -57.65 -38.47 75.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.352 0.661 . . . . 10.0 111.655 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.9 tp -73.72 -39.1 64.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.75 -32.37 73.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.755 0.707 . . . . 10.0 112.102 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.48 -42.38 92.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.935 1.294 . . . . 10.0 110.849 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.53 -46.89 85.87 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.447 -0.783 . . . . 10.0 111.129 170.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -66.44 -24.7 66.49 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.155 1.382 . . . . 10.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -37.57 32.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.039 1.29 . . . . 10.0 114.282 169.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -62.91 -34.88 78.35 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.723 1.147 . . . . 10.0 108.512 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.13 -35.25 73.95 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 124.611 1.164 . . . . 10.0 112.167 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 m -64.56 -38.33 90.64 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 119.421 -2.049 . . . . 10.0 110.941 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.98 -30.89 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.108 0.781 . . . . 10.0 113.108 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -151.8 90.59 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.468 1.507 . . . . 10.0 112.302 170.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -49.14 -24.51 8.0 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.716 3.611 . . . . 10.0 118.416 -169.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -129.95 29.29 4.98 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 116.001 1.852 . . . . 10.0 116.001 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.24 125.31 83.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.651 -1.981 . . . . 10.0 105.651 167.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.04 -24.82 23.41 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 121.604 1.536 . . . . 10.0 115.569 -168.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -78.79 -40.93 31.74 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.047 1.294 . . . . 10.0 110.712 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.24 78.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.273 0.942 . . . . 10.0 111.813 169.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -35.34 40.07 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.919 0.888 . . . . 10.0 110.966 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.16 98.59 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.796 0.838 . . . . 10.0 110.918 169.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -65.25 -53.25 47.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.362 1.465 . . . . 10.0 110.939 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.49 -45.77 73.29 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.022 -0.99 . . . . 10.0 112.584 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.11 -37.99 89.25 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.5 1.5 . . . . 10.0 112.941 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -68.6 -46.42 69.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.587 1.155 . . . . 10.0 112.474 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -69.34 -35.48 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -67.78 -32.16 72.55 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.465 -0.772 . . . . 10.0 112.555 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.8 m -62.16 -41.93 98.78 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.428 0.691 . . . . 10.0 111.343 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.4 -42.2 79.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -62.65 -44.44 96.27 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.233 1.013 . . . . 10.0 112.28 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -68.24 -34.94 77.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.365 0.666 . . . . 10.0 111.202 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -45.91 87.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.355 1.062 . . . . 10.0 111.447 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.42 -44.39 76.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.691 0.796 . . . . 10.0 112.189 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -44.04 86.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.645 1.178 . . . . 10.0 112.411 175.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -69.67 -32.14 70.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.148 0.979 . . . . 10.0 113.622 173.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.75 73.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.455 -0.778 . . . . 10.0 112.441 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.68 -36.26 82.31 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.739 0.816 . . . . 10.0 112.15 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -69.38 -36.5 76.87 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.845 0.748 . . . . 10.0 112.318 169.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -64.32 -25.22 67.94 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.92 -1.113 . . . . 10.0 113.464 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.28 -28.86 70.02 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.289 -0.882 . . . . 10.0 113.187 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 t -78.88 -41.79 24.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 10.0 110.703 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.15 -33.32 67.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.656 0.782 . . . . 10.0 112.597 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -65.15 -4.4 4.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.025 1.73 . . . . 10.0 114.912 174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -54.47 -27.9 40.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.422 1.464 . . . . 10.0 114.114 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -65.05 -32.3 73.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.664 1.186 . . . . 10.0 113.257 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -77.41 -37.88 50.92 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 10.0 111.455 172.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.12 -41.4 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.52 0.728 . . . . 10.0 111.439 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.72 -23.77 53.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.03 1.332 . . . . 10.0 114.183 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -74.82 -12.19 60.33 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.0 m -137.27 -5.95 1.82 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.126 1.37 . . . . 10.0 114.598 -171.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.25 -15.91 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.331 1.852 . . . . 10.0 114.875 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.43 -10.32 24.33 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.382 1.473 . . . . 10.0 113.796 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.43 165.86 24.18 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.983 1.713 . . . . 10.0 112.698 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -150.81 -49.39 0.12 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.882 1.273 . . . . 10.0 112.655 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 154.71 14.92 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.851 1.661 . . . . 10.0 111.462 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -68.77 -13.59 62.49 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.361 1.245 . . . . 10.0 114.361 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -61.4 126.62 28.0 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.846 1.259 . . . . 10.0 111.975 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -150.19 10.74 0.7 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.619 1.168 . . . . 10.0 113.868 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.077 1.751 . . . . 10.0 112.459 -171.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 119.129 -0.462 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -62.87 155.75 26.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.724 1.21 . . . . 10.0 113.887 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -151.44 157.79 34.69 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.863 1.665 . . . . 10.0 111.412 176.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.32 148.59 14.13 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.094 3.196 . . . . 10.0 113.641 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.87 149.77 78.12 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.414 2.743 . . . . 10.0 113.502 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.0 p -143.54 159.19 55.43 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.29 1.836 . . . . 10.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -52.08 108.37 0.24 Allowed 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 125.097 3.865 . . . . 10.0 113.882 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 tp -156.77 123.24 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.796 1.638 . . . . 10.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.2 mt -144.46 156.65 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.759 1.624 . . . . 10.0 111.139 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.97 159.6 28.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.112 0.965 . . . . 10.0 111.943 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -152.25 162.86 40.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.675 1.19 . . . . 10.0 111.353 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -55.18 -7.93 0.25 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.241 1.816 . . . . 10.0 115.385 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.42 -32.37 49.4 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.876 1.671 . . . . 10.0 111.836 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -151.34 -24.63 0.2 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.317 1.447 . . . . 10.0 114.236 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -82.97 170.28 15.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.758 1.223 . . . . 10.0 112.551 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.59 -53.76 2.0 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.369 1.938 . . . . 10.0 113.88 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -64.69 -28.21 69.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.724 1.21 . . . . 10.0 114.155 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.98 3.76 22.53 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.445 1.276 . . . . 10.0 114.445 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -68.93 -7.69 37.32 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 40.97 4.88 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 107.344 -2.302 . . . . 10.0 107.344 -167.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.263 18.8 tt -25.73 118.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 129.511 3.125 . . . . 10.0 117.007 -168.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.27 -54.57 3.17 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 127.036 2.255 . . . . 10.0 114.031 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -58.31 -23.74 57.48 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.091 1.357 . . . . 10.0 112.668 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -17.82 21.64 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.76 1.763 . . . . 10.0 115.76 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -69.07 -26.05 64.75 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.3 0.955 . . . . 10.0 113.19 169.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -84.85 -11.09 56.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.688 1.595 . . . . 10.0 113.734 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.41 -26.95 55.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.085 1.354 . . . . 10.0 114.204 -174.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.93 -13.84 57.75 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.977 1.275 . . . . 10.0 115.234 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.4 t -129.02 -21.49 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 125.277 1.431 . . . . 10.0 112.673 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -52.84 -19.99 2.93 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.929 0.891 . . . . 10.0 113.194 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.32 -47.24 13.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.77 1.228 . . . . 10.0 113.466 169.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.13 -38.4 75.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.121 0.969 . . . . 10.0 111.097 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -62.22 -38.7 90.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.611 -0.681 . . . . 10.0 111.904 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.63 -39.42 88.28 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.928 1.291 . . . . 10.0 112.161 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -58.88 -41.47 87.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.366 0.666 . . . . 10.0 111.426 170.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.29 -39.95 64.92 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.396 0.887 . . . . 10.0 113.396 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.47 -32.12 73.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.48 0.582 . . . . 10.0 111.718 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.98 -37.33 84.03 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.394 -0.816 . . . . 10.0 111.697 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.74 -46.99 88.3 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.375 -0.828 . . . . 10.0 111.025 169.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -66.65 -25.33 66.52 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.363 1.465 . . . . 10.0 112.523 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.72 34.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.115 1.325 . . . . 10.0 114.305 169.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -64.94 -32.29 73.93 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.667 1.121 . . . . 10.0 109.086 168.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.5 tp -72.13 -33.69 67.98 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 124.177 0.991 . . . . 10.0 111.75 168.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -65.35 -38.99 91.76 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 119.359 -2.088 . . . . 10.0 110.956 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -60.49 -33.28 72.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.745 0.818 . . . . 10.0 112.875 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -150.4 92.09 4.04 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.188 1.395 . . . . 10.0 112.452 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -51.41 -18.35 5.4 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 124.923 3.749 . . . . 10.0 118.472 -170.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.313 30.6 t -137.59 34.59 2.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 169.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.23 126.31 91.1 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 104.648 -2.352 . . . . 10.0 104.648 167.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.16 -26.76 25.34 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.51 1.473 . . . . 10.0 115.723 -168.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -76.92 -41.29 44.04 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.117 1.326 . . . . 10.0 110.879 170.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.25 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.604 1.093 . . . . 10.0 111.916 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.46 -36.09 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.778 0.831 . . . . 10.0 110.98 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.24 95.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.84 0.856 . . . . 10.0 111.119 169.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -66.2 -53.74 33.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.51 1.524 . . . . 10.0 110.962 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.24 -43.65 74.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.161 -0.923 . . . . 10.0 112.998 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.03 -43.07 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.147 1.34 . . . . 10.0 112.181 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.9 ttp -64.36 -48.3 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.224 1.01 . . . . 10.0 112.295 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.6 mt -68.52 -35.62 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.782 0.833 . . . . 10.0 110.206 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.0 ttm -69.07 -36.67 77.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.012 0.824 . . . . 10.0 112.72 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -56.84 -43.72 81.37 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.694 0.797 . . . . 10.0 111.184 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.52 -44.11 71.67 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.504 0.928 . . . . 10.0 113.504 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -58.99 -48.46 81.48 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.802 1.241 . . . . 10.0 112.23 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -69.44 -40.04 77.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.336 0.654 . . . . 10.0 111.177 -177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.87 -43.27 99.24 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.857 0.863 . . . . 10.0 112.031 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -63.51 -42.6 98.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.914 0.485 . . . . 10.0 112.145 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.98 -42.75 98.96 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.196 0.999 . . . . 10.0 112.615 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -65.66 -38.14 88.5 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 173.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.96 -40.68 78.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.658 0.663 . . . . 10.0 112.55 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.94 -47.91 81.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.582 1.153 . . . . 10.0 111.117 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.1 m -63.77 -36.95 85.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.502 0.721 . . . . 10.0 112.767 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -71.14 -34.36 70.93 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.264 1.026 . . . . 10.0 112.908 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.76 78.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.133 0.879 . . . . 10.0 113.261 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.81 -22.65 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 126.029 1.732 . . . . 10.0 112.561 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.07 3.03 27.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.6 1.96 . . . . 10.0 113.307 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -135.17 10.21 3.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.815 1.646 . . . . 10.0 113.491 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -50.01 -44.64 51.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.686 1.594 . . . . 10.0 113.843 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.63 -33.02 73.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.23 -37.23 66.46 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.623 0.769 . . . . 10.0 111.835 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.99 -44.46 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.051 0.94 . . . . 10.0 110.7 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.7 -39.83 85.89 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.349 1.06 . . . . 10.0 112.251 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.2 m -68.18 -4.54 14.25 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.225 1.41 . . . . 10.0 114.336 171.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 m -121.43 10.65 10.54 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.269 1.828 . . . . 10.0 113.293 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.09 -22.65 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.162 1.385 . . . . 10.0 112.298 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -52.47 150.58 4.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.906 1.682 . . . . 10.0 113.127 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.94 145.51 16.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.262 1.425 . . . . 10.0 114.28 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -70.07 -14.95 62.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.947 1.299 . . . . 10.0 114.263 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -138.54 151.46 47.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.306 1.442 . . . . 10.0 111.534 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -154.18 164.55 38.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.913 1.685 . . . . 10.0 110.652 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.72 162.35 29.22 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -143.2 159.97 41.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.479 1.511 . . . . 10.0 111.556 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.138 1.775 . . . . 10.0 110.907 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.3 mtm . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -154.94 175.93 13.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.122 1.369 . . . . 10.0 112.353 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -144.9 158.87 51.92 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.63 1.572 . . . . 10.0 111.532 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -72.59 158.08 51.46 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 122.711 2.274 . . . . 10.0 111.846 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.57 -32.27 89.45 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.443 3.429 . . . . 10.0 115.808 171.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.257 18.3 p 66.76 151.93 0.12 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 127.933 2.493 . . . . 10.0 113.664 -169.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.24 144.4 39.07 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 124.833 3.689 . . . . 10.0 115.785 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 tp -153.55 152.17 30.62 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.431 1.893 . . . . 10.0 110.105 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -137.01 0.29 2.36 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.763 1.764 . . . . 10.0 115.763 -175.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.25 23.1 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.264 1.426 . . . . 10.0 111.295 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -159.08 -44.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.469 1.507 . . . . 10.0 110.734 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -151.65 145.84 25.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.539 1.936 . . . . 10.0 109.453 169.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -145.93 -179.97 7.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.492 1.517 . . . . 10.0 111.624 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -57.98 -15.54 9.36 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.792 1.775 . . . . 10.0 115.792 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -50.16 119.2 3.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.725 1.61 . . . . 10.0 112.266 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.32 -40.16 2.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.869 1.223 . . . . 10.0 114.19 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -57.03 -42.21 80.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.161 0.984 . . . . 10.0 112.363 172.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.98 -38.03 81.38 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.71 1.204 . . . . 10.0 112.468 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -65.9 -37.25 85.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.279 1.032 . . . . 10.0 111.664 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.12 -34.33 62.22 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.661 1.6 . . . . 10.0 114.667 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -56.55 -32.98 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.224 1.01 . . . . 10.0 112.166 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.47 92.02 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.458 1.028 . . . . 10.0 113.974 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -82.16 -25.87 33.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.976 1.31 . . . . 10.0 112.631 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.78 64.71 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.423 1.638 . . . . 10.0 115.423 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -67.01 -9.37 38.27 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.82 1.044 . . . . 10.0 113.82 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -117.78 -43.81 2.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.961 2.104 . . . . 10.0 111.545 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.91 -35.47 71.1 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.708 0.803 . . . . 10.0 112.4 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.92 -6.48 31.3 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.483 1.516 . . . . 10.0 115.341 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.66 -34.64 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 118.697 1.249 . . . . 10.0 111.794 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -57.4 -20.12 27.72 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.744 0.418 . . . . 10.0 110.672 168.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -43.02 -46.16 5.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.898 2.479 . . . . 10.0 113.92 168.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -40.51 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.649 0.738 . . . . 10.0 110.777 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.567 -0.708 . . . . 10.0 111.866 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.72 -38.12 86.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.941 0.896 . . . . 10.0 112.537 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.83 -39.81 86.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.84 0.856 . . . . 10.0 111.47 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -72.45 -38.47 68.26 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 113.033 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -65.99 -33.08 74.99 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.63 0.65 . . . . 10.0 111.994 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.03 -37.24 85.38 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.396 -0.815 . . . . 10.0 111.824 170.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.44 -48.1 83.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.458 -0.776 . . . . 10.0 110.691 169.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.05 -24.66 66.78 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.383 1.473 . . . . 10.0 112.446 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -36.78 34.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 169.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -65.17 -32.68 74.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.091 1.314 . . . . 10.0 108.667 168.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.42 -36.48 71.33 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 123.892 0.877 . . . . 10.0 111.505 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.0 m -64.24 -37.41 87.38 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 119.316 -2.115 . . . . 10.0 110.984 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -59.4 -36.2 75.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.853 1.661 . . . . 10.0 112.57 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -151.54 92.2 3.72 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.241 1.416 . . . . 10.0 112.143 169.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -48.45 -26.19 8.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 124.879 3.72 . . . . 10.0 118.46 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.5 p -129.94 28.02 5.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.973 1.842 . . . . 10.0 115.973 171.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.59 125.45 82.51 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 167.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.17 -26.86 25.21 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.526 1.484 . . . . 10.0 115.547 -168.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -77.57 -40.53 42.03 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.098 1.317 . . . . 10.0 111.024 171.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 119.668 1.122 . . . . 10.0 111.811 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -36.06 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.883 0.873 . . . . 10.0 110.944 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.65 97.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.965 0.906 . . . . 10.0 111.009 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.54 -53.94 35.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.542 1.537 . . . . 10.0 110.902 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -55.3 -43.84 75.21 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.335 -0.84 . . . . 10.0 112.921 171.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.85 -39.64 90.96 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 120.236 1.38 . . . . 10.0 112.698 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.2 ttp -66.52 -47.46 72.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.456 1.103 . . . . 10.0 112.442 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 39' ' ' ALA . 95.4 mt -68.83 -36.75 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.852 0.861 . . . . 10.0 110.058 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -69.2 -36.22 77.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.953 0.797 . . . . 10.0 112.837 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.8 t -57.34 -50.09 74.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.765 0.826 . . . . 10.0 110.437 170.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.88 -43.08 97.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.78 -48.28 81.78 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.09 1.356 . . . . 10.0 112.239 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -74.84 -38.55 61.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.634 0.374 . . . . 10.0 111.52 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.61 -50.42 73.89 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.023 1.329 . . . . 10.0 111.005 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -47.71 84.29 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.274 0.63 . . . . 10.0 112.107 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -59.14 -46.23 88.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.882 0.873 . . . . 10.0 112.704 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -61.14 -47.19 87.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.92 0.888 . . . . 10.0 112.669 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.82 75.89 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.86 -44.46 94.12 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.738 1.215 . . . . 10.0 111.547 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.9 m -65.17 -41.5 94.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.22 0.608 . . . . 10.0 112.196 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -71.27 -45.03 64.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.53 0.732 . . . . 10.0 112.652 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.03 97.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.132 0.973 . . . . 10.0 112.872 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.92 -26.67 36.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.134 1.373 . . . . 10.0 112.783 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.59 -0.96 42.09 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.136 1.375 . . . . 10.0 114.056 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.6 m -135.86 -9.02 2.1 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -46.32 -46.04 17.91 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.044 1.498 . . . . 10.0 115.044 -169.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.59 -29.99 71.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.304 1.042 . . . . 10.0 113.698 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -85.55 -40.21 16.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.067 0.947 . . . . 10.0 111.992 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.54 -35.43 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.986 0.914 . . . . 10.0 111.767 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.95 -16.98 7.96 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.897 1.279 . . . . 10.0 114.355 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.4 m -126.86 9.01 6.88 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.499 1.919 . . . . 10.0 113.104 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t -152.12 31.09 0.55 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.37 1.468 . . . . 10.0 112.311 -173.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.7 147.33 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.346 1.459 . . . . 10.0 113.243 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.9 tp -145.97 143.17 29.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.112 1.765 . . . . 10.0 109.898 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.5 -5.91 4.72 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.939 1.089 . . . . 10.0 113.939 -174.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -70.27 132.19 45.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.02 0.928 . . . . 10.0 111.826 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -156.73 166.95 31.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.244 1.418 . . . . 10.0 111.33 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -73.64 39.51 0.1 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.338 1.855 . . . . 10.0 112.681 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.0 156.76 32.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.55 1.54 . . . . 10.0 113.286 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -149.25 152.45 35.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.096 1.359 . . . . 10.0 111.07 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 124.419 1.087 . . . . 10.0 113.278 172.198 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 p -150.15 175.55 11.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.481 1.512 . . . . 10.0 111.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -57.23 156.11 15.7 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.543 1.137 . . . . 10.0 113.571 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -71.22 160.51 48.73 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 122.774 2.316 . . . . 10.0 111.721 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.74 168.32 23.17 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.501 2.801 . . . . 10.0 112.491 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.2 p -134.32 153.04 79.13 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.275 1.43 . . . . 10.0 111.38 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -81.07 152.47 18.65 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.617 2.878 . . . . 10.0 113.252 -169.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.75 129.13 10.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.106 1.763 . . . . 10.0 108.99 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -147.67 145.12 28.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.863 1.265 . . . . 10.0 110.896 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.81 -2.61 2.11 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.697 1.199 . . . . 10.0 114.215 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.88 -32.1 71.52 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.087 -1.008 . . . . 10.0 112.967 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -154.26 165.02 37.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.885 1.674 . . . . 10.0 111.541 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.51 -4.36 0.99 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.654 1.181 . . . . 10.0 113.381 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -129.49 6.52 5.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.213 1.405 . . . . 10.0 114.126 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -56.85 -28.83 62.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.425 1.09 . . . . 10.0 113.788 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.4 -41.42 87.86 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.131 -0.981 . . . . 10.0 113.792 171.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -70.45 -37.58 74.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.935 0.894 . . . . 10.0 112.501 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.07 -45.24 93.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.689 0.796 . . . . 10.0 111.954 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.04 -25.78 66.43 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.549 1.139 . . . . 10.0 112.485 171.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.19 -29.16 21.1 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 126.511 2.005 . . . . 10.0 115.907 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.65 -16.29 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 10.0 113.736 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.9 -44.08 8.63 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.179 1.847 . . . . 10.0 115.138 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -17.51 22.29 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 115.264 1.579 . . . . 10.0 115.264 177.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.53 -23.37 6.11 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.513 1.925 . . . . 10.0 113.346 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.28 -30.71 66.6 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.497 -0.752 . . . . 10.0 111.892 169.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.95 -3.78 14.16 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.319 1.448 . . . . 10.0 114.076 174.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.64 -20.98 36.95 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -171.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.59 11.57 30.4 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.713 1.149 . . . . 10.0 114.915 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.9 -4.47 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.059 1.344 . . . . 10.0 112.426 171.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -52.39 -24.63 8.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.337 1.455 . . . . 10.0 113.388 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.61 -40.34 96.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.391 1.476 . . . . 10.0 114.17 172.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -36.63 35.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.555 1.542 . . . . 10.0 111.046 172.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -61.11 -38.26 85.68 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.453 -0.779 . . . . 10.0 111.251 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -58.7 -46.7 86.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.763 2.025 . . . . 10.0 111.888 170.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -61.73 -40.64 95.8 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.103 0.561 . . . . 10.0 112.014 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -74.2 -39.19 63.3 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.7 -30.96 70.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.441 0.564 . . . . 10.0 111.888 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.21 -37.42 83.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.914 0.779 . . . . 10.0 111.267 169.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -47.13 87.23 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.469 -0.769 . . . . 10.0 110.705 169.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.08 -23.81 66.59 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.05 1.34 . . . . 10.0 112.568 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.15 -38.72 30.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.048 1.295 . . . . 10.0 114.232 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -62.61 -34.6 77.35 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.942 1.246 . . . . 10.0 108.768 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.39 -35.83 76.18 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 124.478 1.111 . . . . 10.0 111.962 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -63.45 -38.61 91.8 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 119.802 -1.811 . . . . 10.0 110.818 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -59.83 -32.74 70.95 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -151.77 87.77 4.35 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.424 1.489 . . . . 10.0 111.958 174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -47.06 -24.45 3.36 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.957 3.771 . . . . 10.0 119.284 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 p -129.98 30.95 4.76 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 171.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 125.04 84.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 168.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.06 -25.93 26.7 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 121.583 1.522 . . . . 10.0 115.598 -168.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -78.33 -41.17 34.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.066 1.303 . . . . 10.0 110.86 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.05 -41.9 75.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.402 1.001 . . . . 10.0 111.771 170.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.83 -35.18 38.71 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.939 0.895 . . . . 10.0 110.932 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.8 98.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.825 0.85 . . . . 10.0 111.013 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.09 -53.56 43.63 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.575 1.55 . . . . 10.0 110.806 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -54.27 -45.63 72.5 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.127 -0.939 . . . . 10.0 112.735 171.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -65.85 -37.08 85.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.41 1.459 . . . . 10.0 112.892 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -69.18 -46.15 68.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.614 1.165 . . . . 10.0 112.696 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -68.88 -36.14 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.654 0.782 . . . . 10.0 109.809 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.6 ttm -68.27 -33.97 75.34 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.557 -0.714 . . . . 10.0 112.677 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.0 m -60.46 -47.2 87.13 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.424 0.69 . . . . 10.0 110.719 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.6 -45.27 91.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.398 0.679 . . . . 10.0 112.717 174.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.54 -48.52 79.08 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.05 1.34 . . . . 10.0 112.127 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.02 -39.03 69.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.033 0.533 . . . . 10.0 111.27 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.56 -47.34 84.27 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.767 1.227 . . . . 10.0 111.536 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -59.92 -44.75 94.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.926 0.49 . . . . 10.0 111.961 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -62.92 -42.03 99.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.103 0.961 . . . . 10.0 112.679 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -62.06 -40.18 94.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.545 0.738 . . . . 10.0 112.808 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.9 78.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -61.72 -47.81 83.59 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.973 0.909 . . . . 10.0 111.068 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -62.56 -30.43 71.31 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.658 0.985 . . . . 10.0 113.658 174.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -71.94 -44.74 63.13 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.068 0.947 . . . . 10.0 111.994 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.89 77.76 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.254 1.022 . . . . 10.0 113.17 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.47 -32.53 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.607 1.563 . . . . 10.0 112.751 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -94.76 4.73 53.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.297 1.439 . . . . 10.0 113.745 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 m -125.17 4.67 7.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.939 1.696 . . . . 10.0 112.895 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.0 ttt -56.44 -37.58 70.45 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.108 1.151 . . . . 10.0 114.108 -169.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -65.96 -44.15 85.83 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.184 0.902 . . . . 10.0 111.429 177.509 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.64 -40.41 96.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.543 0.737 . . . . 10.0 111.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.9 -38.76 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.441 1.096 . . . . 10.0 111.337 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.9 -39.68 90.83 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.21 -0.931 . . . . 10.0 112.397 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.0 m -67.49 -36.19 80.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.998 0.919 . . . . 10.0 113.155 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -157.02 118.0 3.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 10.0 110.341 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.25 14.9 tt -77.72 42.22 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 125.659 1.583 . . . . 10.0 113.815 -169.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.5 mt -133.15 138.37 46.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.793 2.037 . . . . 10.0 110.616 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.59 -33.9 61.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.728 1.211 . . . . 10.0 112.89 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -60.12 -22.94 63.43 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.392 1.477 . . . . 10.0 114.449 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -75.3 -30.59 60.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -69.97 103.19 2.18 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.621 0.768 . . . . 10.0 111.236 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -154.18 162.56 41.1 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.183 1.393 . . . . 10.0 111.818 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.57 -24.42 65.51 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.991 1.316 . . . . 10.0 113.873 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.124 1.77 . . . . 10.0 111.691 -175.48 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -153.03 174.88 13.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.694 1.598 . . . . 10.0 111.468 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -144.83 156.56 55.62 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.529 1.132 . . . . 10.0 112.87 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.36 167.88 24.91 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 123.708 2.938 . . . . 10.0 112.26 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.51 169.15 0.35 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.823 3.682 . . . . 10.0 114.464 169.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.8 p -130.59 160.73 64.78 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.454 1.102 . . . . 10.0 113.067 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.74 -4.29 1.87 Allowed 'Trans proline' 0 CA--C 1.544 0.995 1 C-N-CA 125.383 4.055 . . . . 10.0 116.847 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.18 -22.09 64.4 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.503 1.521 . . . . 10.0 114.207 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.42 105.53 0.44 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.526 1.53 . . . . 10.0 111.564 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.45 22.92 1.65 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 -169.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.06 -13.52 7.09 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.455 1.65 . . . . 10.0 115.455 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -54.96 -29.4 56.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.811 1.644 . . . . 10.0 113.517 171.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 47.49 0.54 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.506 1.922 . . . . 10.0 113.038 -176.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -135.86 -16.19 1.74 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.085 1.754 . . . . 10.0 113.21 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -53.88 -29.99 43.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.684 1.193 . . . . 10.0 113.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.18 25.71 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.589 1.566 . . . . 10.0 115.698 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.52 -34.83 73.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.105 0.962 . . . . 10.0 112.995 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.17 -24.29 51.5 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.167 0.987 . . . . 10.0 112.358 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -57.85 -28.07 63.8 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 120.045 1.293 . . . . 10.0 111.835 171.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.17 -21.29 24.84 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 126.214 1.864 . . . . 10.0 116.208 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.8 tt -127.82 -30.07 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.023 1.329 . . . . 10.0 113.618 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.45 -35.42 61.34 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.928 1.728 . . . . 10.0 114.635 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -52.09 -41.61 62.56 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.954 1.301 . . . . 10.0 113.037 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 -19.43 34.66 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.503 0.927 . . . . 10.0 113.503 -170.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -83.46 9.01 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.261 0.837 . . . . 10.0 113.261 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -125.04 12.78 8.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.592 1.957 . . . . 10.0 111.905 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.38 -21.65 1.52 Allowed 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 117.657 2.466 . . . . 10.0 117.657 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.66 -9.71 71.38 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 124.517 1.056 . . . . 10.0 115.337 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.28 -7.49 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.938 2.095 . . . . 10.0 111.607 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -53.2 -24.28 10.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.387 1.875 . . . . 10.0 112.364 169.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.17 -39.78 75.97 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.096 1.758 . . . . 10.0 113.822 169.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -36.55 35.38 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.292 1.437 . . . . 10.0 110.677 173.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -32.33 73.32 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.356 -0.84 . . . . 10.0 112.017 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.1 -42.75 84.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.608 1.563 . . . . 10.0 111.777 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.02 -42.27 93.98 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.62 0.768 . . . . 10.0 111.494 172.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -72.4 -38.35 68.45 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.382 0.882 . . . . 10.0 113.382 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.22 -33.36 75.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.952 0.901 . . . . 10.0 111.759 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.49 -39.01 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.53 0.732 . . . . 10.0 111.584 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.99 -47.77 83.97 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.669 -0.644 . . . . 10.0 110.853 169.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -66.82 -25.66 66.55 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.739 1.616 . . . . 10.0 112.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.29 -36.98 33.64 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.889 1.222 . . . . 10.0 114.266 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -63.87 -33.34 75.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.831 1.196 . . . . 10.0 108.767 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tp -70.9 -36.2 72.62 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.315 1.046 . . . . 10.0 111.923 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 m -63.45 -38.18 90.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 119.528 -1.983 . . . . 10.0 111.058 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.61 -32.99 73.14 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.172 0.989 . . . . 10.0 112.974 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -150.88 90.89 4.1 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.441 1.497 . . . . 10.0 112.154 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -48.78 -24.15 6.62 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 124.773 3.649 . . . . 10.0 118.38 -169.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -130.49 27.91 4.97 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.74 124.98 78.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 105.832 -1.914 . . . . 10.0 105.832 167.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 -25.3 24.28 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.62 1.547 . . . . 10.0 115.545 -168.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -77.74 -41.8 36.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.08 1.309 . . . . 10.0 110.808 170.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.35 74.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.472 1.033 . . . . 10.0 111.881 170.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -35.27 38.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.001 0.92 . . . . 10.0 111.107 -177.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.44 98.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.809 0.844 . . . . 10.0 111.026 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.48 -53.67 39.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.567 1.547 . . . . 10.0 110.58 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -54.27 -44.9 72.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.064 -0.969 . . . . 10.0 112.854 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.93 -39.73 93.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.397 1.453 . . . . 10.0 112.688 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -66.66 -47.7 71.7 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.494 1.118 . . . . 10.0 112.085 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.5 mt -69.01 -36.06 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.839 0.855 . . . . 10.0 110.256 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -68.54 -33.32 73.9 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.502 -0.749 . . . . 10.0 112.374 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -58.7 -49.03 79.08 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.501 0.72 . . . . 10.0 110.607 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.31 -44.29 95.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.82 -48.56 80.89 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.866 1.266 . . . . 10.0 112.191 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.52 -40.52 56.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.307 0.643 . . . . 10.0 111.584 -174.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.17 -47.75 84.17 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.226 1.011 . . . . 10.0 111.777 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.68 -44.52 96.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.128 0.571 . . . . 10.0 112.407 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -66.34 -43.4 86.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.099 0.96 . . . . 10.0 112.43 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.55 -42.06 87.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.432 1.093 . . . . 10.0 112.604 172.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.08 82.69 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -48.19 80.78 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.553 0.615 . . . . 10.0 111.779 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 m -63.55 -28.21 69.79 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.4 m -71.55 -49.16 43.45 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.452 -0.78 . . . . 10.0 111.451 171.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.1 79.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 10.0 113.073 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 t -60.28 -27.84 40.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.711 . . . . 10.0 113.213 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -91.66 -38.64 12.31 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.831 0.853 . . . . 10.0 112.836 173.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -22.24 63.8 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -30.81 32.63 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -67.15 -26.2 66.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.51 -31.22 69.34 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.583 -0.698 . . . . 10.0 112.035 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.7 mm -71.14 -40.1 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.208 1.003 . . . . 10.0 110.927 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.34 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.737 0.815 . . . . 10.0 112.819 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -61.26 -17.61 54.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -61.97 -14.0 30.82 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.6 tp -61.47 -21.32 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.357 1.063 . . . . 10.0 113.814 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.1 mt -73.77 18.66 0.13 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.549 1.94 . . . . 10.0 114.91 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.06 -34.73 72.29 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.296 1.439 . . . . 10.0 113.945 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -152.1 152.66 32.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.619 1.168 . . . . 10.0 112.135 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -153.18 131.77 12.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.197 1.399 . . . . 10.0 110.876 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.534 ' CG ' ' H ' ' A' ' 90' ' ' HIS . 21.4 t-80 -155.09 -170.1 3.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.04 1.736 . . . . 10.0 110.645 176.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' H ' ' CG ' ' A' ' 89' ' ' HIS . 26.9 t-80 -57.3 -8.03 0.68 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.181 2.193 . . . . 10.0 115.414 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -57.48 -25.41 59.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.476 1.288 . . . . 10.0 114.476 171.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.457 1.903 . . . . 10.0 112.547 -171.6 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -157.7 -42.25 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.864 1.266 . . . . 10.0 111.513 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.89 161.7 11.41 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 125.691 1.596 . . . . 10.0 112.602 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -68.8 154.2 71.58 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.122 1.882 . . . . 10.0 111.197 169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -52.18 151.59 16.69 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.224 3.283 . . . . 10.0 114.601 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -141.83 157.91 63.55 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.717 1.607 . . . . 10.0 111.702 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.39 148.36 42.67 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.555 3.503 . . . . 10.0 114.333 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -149.95 99.67 2.86 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.284 1.434 . . . . 10.0 110.226 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.97 -35.05 70.63 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.784 0.834 . . . . 10.0 113.101 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.66 -10.79 5.76 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.962 1.467 . . . . 10.0 114.962 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.65 19.7 5.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.36 1.864 . . . . 10.0 111.736 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -139.51 -31.86 0.67 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.843 1.257 . . . . 10.0 113.775 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.42 -10.43 59.73 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.217 -0.927 . . . . 10.0 113.375 170.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -142.49 158.79 43.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.054 1.742 . . . . 10.0 111.548 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -140.37 6.25 2.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.16 1.384 . . . . 10.0 114.38 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.59 -38.97 0.14 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.257 0.932 . . . . 10.0 114.46 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.11 -33.34 67.25 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.777 1.029 . . . . 10.0 113.777 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.69 -28.31 68.52 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.694 1.198 . . . . 10.0 113.214 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -81.34 -38.23 27.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.955 0.902 . . . . 10.0 111.425 171.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.95 99.73 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.569 1.081 . . . . 10.0 113.989 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -76.44 -2.97 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.16 1.384 . . . . 10.0 113.084 172.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.42 -39.99 15.27 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.827 1.679 . . . . 10.0 115.406 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -56.52 -35.69 68.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.273 1.429 . . . . 10.0 113.419 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.65 -29.81 15.92 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.555 1.542 . . . . 10.0 113.166 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.17 -29.43 69.72 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.77 0.655 . . . . 10.0 112.77 176.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.04 -34.64 60.53 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.919 1.288 . . . . 10.0 113.652 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.16 -18.14 64.53 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.996 0.918 . . . . 10.0 113.471 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.77 -33.58 30.0 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.697 1.141 . . . . 10.0 113.135 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.13 -17.38 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 118.828 1.314 . . . . 10.0 112.878 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -54.23 -20.65 7.33 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.806 0.842 . . . . 10.0 112.771 169.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.86 -38.11 64.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.5 1.52 . . . . 10.0 113.417 169.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -42.2 96.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.276 1.03 . . . . 10.0 110.787 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -35.88 81.0 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.524 -0.735 . . . . 10.0 111.619 172.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -68.5 -38.59 81.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.166 0.986 . . . . 10.0 112.724 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.0 -41.11 91.38 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.892 0.877 . . . . 10.0 111.261 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -70.53 -38.52 74.23 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.29 -33.39 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.749 0.704 . . . . 10.0 112.409 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.68 -43.67 95.97 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.502 -0.749 . . . . 10.0 110.833 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.23 -45.72 87.2 Favored 'General case' 0 C--N 1.34 0.163 0 O-C-N 122.084 -0.385 . . . . 10.0 111.259 173.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -67.4 -27.31 66.98 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.245 1.418 . . . . 10.0 112.596 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.39 34.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.405 1.261 . . . . 10.0 114.405 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -63.45 -34.71 78.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.644 1.111 . . . . 10.0 108.877 169.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.6 tp -71.79 -34.69 69.61 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 124.932 1.293 . . . . 10.0 112.099 169.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -63.87 -38.72 92.12 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 119.427 -2.046 . . . . 10.0 111.006 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.22 -32.02 71.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.824 0.85 . . . . 10.0 112.975 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -151.46 90.34 4.02 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.457 1.503 . . . . 10.0 112.261 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -49.33 -24.28 8.29 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.677 3.584 . . . . 10.0 118.11 -169.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -130.16 29.33 4.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 116.126 1.898 . . . . 10.0 116.126 171.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 124.61 80.5 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 167.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.21 -27.42 29.1 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.811 1.674 . . . . 10.0 115.573 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.7 m -77.8 -41.11 38.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.732 1.151 . . . . 10.0 110.985 171.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.46 75.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.421 1.01 . . . . 10.0 111.88 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -35.74 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.039 0.936 . . . . 10.0 111.088 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.95 97.96 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.871 0.868 . . . . 10.0 110.924 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.59 -53.86 35.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.365 1.466 . . . . 10.0 110.921 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.0 -44.87 71.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.974 0.91 . . . . 10.0 112.74 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -64.76 -41.03 96.19 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.131 1.332 . . . . 10.0 112.681 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -66.52 -45.24 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.412 1.085 . . . . 10.0 112.245 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -71.44 -36.07 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.741 0.816 . . . . 10.0 110.077 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.13 -34.44 76.36 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.946 0.794 . . . . 10.0 112.831 176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -57.88 -45.73 85.94 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 10.0 111.128 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.47 -42.83 74.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.71 0.804 . . . . 10.0 113.106 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -57.96 -47.22 83.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.32 1.448 . . . . 10.0 112.109 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.53 -40.86 93.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.424 0.689 . . . . 10.0 111.432 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.63 -47.86 83.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.53 1.132 . . . . 10.0 112.509 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -66.18 -36.63 83.58 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -68.29 -34.41 76.11 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.03 -35.53 75.29 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.035 0.834 . . . . 10.0 112.562 170.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.24 -32.98 56.14 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.42 -37.95 82.5 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.118 -0.989 . . . . 10.0 111.975 173.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -57.52 -28.11 63.19 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.772 1.026 . . . . 10.0 113.772 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.7 m -65.2 -21.89 66.82 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.106 -0.996 . . . . 10.0 113.589 174.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -36.23 59.01 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.215 0.916 . . . . 10.0 112.484 171.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.02 -30.5 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.685 1.594 . . . . 10.0 111.955 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -56.83 -15.89 5.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.917 1.287 . . . . 10.0 114.389 170.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -118.01 11.43 13.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.115 1.766 . . . . 10.0 112.965 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.9 tpp -54.46 -36.38 64.02 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.863 -1.148 . . . . 10.0 113.243 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.0 -27.92 68.49 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.35 -35.51 71.19 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.958 0.799 . . . . 10.0 111.679 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.47 -40.33 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.979 0.912 . . . . 10.0 111.211 172.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.98 -35.39 78.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.653 1.181 . . . . 10.0 112.771 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 m -63.63 -17.32 62.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 m -75.77 10.11 1.97 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.96 1.304 . . . . 10.0 114.186 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.7 tt -47.07 -30.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.805 2.042 . . . . 10.0 116.396 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.34 -8.12 43.4 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.854 1.427 . . . . 10.0 114.854 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -139.38 -161.21 1.16 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 128.203 2.601 . . . . 10.0 109.672 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -56.65 133.15 53.58 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.387 -1.445 . . . . 10.0 111.561 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -155.79 178.42 10.28 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.322 1.449 . . . . 10.0 111.802 -173.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -144.36 160.75 40.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.728 1.611 . . . . 10.0 110.101 174.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -147.65 134.76 20.41 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.869 1.268 . . . . 10.0 110.764 -175.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 127.88 34.15 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.496 1.119 . . . . 10.0 112.482 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.49 1.516 . . . . 10.0 112.763 -177.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -64.99 140.3 58.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.088 0.955 . . . . 10.0 112.168 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -68.4 156.04 91.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.205 0.602 . . . . 10.0 112.155 171.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.2 159.58 46.97 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.83 2.354 . . . . 10.0 111.404 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.32 159.52 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.113 2.542 . . . . 10.0 112.256 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.9 p -139.89 158.45 67.52 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 125.423 1.489 . . . . 10.0 111.578 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -53.7 157.84 9.28 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.838 3.692 . . . . 10.0 115.04 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.6 mt -121.29 33.94 5.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.099 1.76 . . . . 10.0 111.321 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.07 -17.18 61.98 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.735 1.614 . . . . 10.0 114.507 -172.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.3 161.39 41.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.538 1.535 . . . . 10.0 111.634 172.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.48 -25.63 64.59 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.456 1.103 . . . . 10.0 113.892 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -59.26 -19.1 43.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.042 1.337 . . . . 10.0 113.736 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -92.65 -4.69 52.88 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.939 1.296 . . . . 10.0 113.295 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -128.82 -2.12 5.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.344 1.458 . . . . 10.0 113.764 -171.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -54.29 -26.17 27.78 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.164 1.542 . . . . 10.0 115.164 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.87 -28.88 74.0 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.665 1.126 . . . . 10.0 114.838 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.62 -33.71 20.07 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.57 1.148 . . . . 10.0 112.15 171.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.53 -20.21 30.15 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.573 1.149 . . . . 10.0 113.808 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -45.14 -33.79 2.38 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 128.266 2.626 . . . . 10.0 116.1 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.4 -46.95 0.04 OUTLIER Glycine 0 N--CA 1.474 1.189 0 C-N-CA 124.734 1.159 . . . . 10.0 112.692 -170.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.0 mm -55.78 -32.64 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 117.887 0.844 . . . . 10.0 108.735 168.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.86 -31.95 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 129.891 3.615 . . . . 10.0 116.714 168.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -118.75 6.24 11.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.449 1.5 . . . . 10.0 114.983 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.48 -13.61 61.87 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.803 -1.186 . . . . 10.0 112.994 169.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -79.51 5.55 12.63 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.31 1.044 . . . . 10.0 112.339 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -134.1 33.84 3.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 10.0 109.72 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.16 -21.73 5.45 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.85 2.167 . . . . 10.0 116.85 -169.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.12 1.74 59.35 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.719 1.152 . . . . 10.0 115.182 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 t -131.39 -8.41 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.831 1.652 . . . . 10.0 112.768 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.47 -30.1 11.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.054 -1.029 . . . . 10.0 112.545 169.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.15 -55.4 35.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.079 1.752 . . . . 10.0 113.093 171.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -36.24 78.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.917 1.287 . . . . 10.0 110.378 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -64.92 -35.49 81.34 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.599 -0.688 . . . . 10.0 112.353 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.66 -38.14 73.77 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.844 1.258 . . . . 10.0 112.547 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.78 -42.16 88.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.79 0.723 . . . . 10.0 111.194 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.77 -37.88 70.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.166 0.987 . . . . 10.0 113.183 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.89 -34.96 79.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.97 0.908 . . . . 10.0 111.615 171.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.36 -39.61 89.24 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.609 -0.682 . . . . 10.0 111.809 170.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.17 85.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.512 0.596 . . . . 10.0 111.114 169.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -65.79 -25.12 67.1 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.362 1.465 . . . . 10.0 112.07 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -36.59 34.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.903 1.229 . . . . 10.0 114.039 169.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.13 -35.8 79.84 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.647 1.112 . . . . 10.0 108.582 169.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.28 -36.21 74.24 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 125.184 1.393 . . . . 10.0 112.435 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.29 -37.94 89.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 119.558 -1.964 . . . . 10.0 110.927 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.61 -31.78 71.87 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.68 90.11 3.99 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.54 1.536 . . . . 10.0 112.04 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -48.52 -24.77 6.82 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 124.829 3.686 . . . . 10.0 118.456 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -129.8 27.9 5.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.184 1.92 . . . . 10.0 116.184 171.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.1 124.72 78.7 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 167.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.37 -24.53 26.79 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.76 1.64 . . . . 10.0 115.493 -168.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -80.35 -39.77 27.92 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.904 1.229 . . . . 10.0 110.85 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.05 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 119.471 1.032 . . . . 10.0 111.539 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -35.17 44.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.035 0.934 . . . . 10.0 110.824 -178.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.4 98.56 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.597 0.759 . . . . 10.0 111.013 169.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.09 -54.13 34.69 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 125.446 1.498 . . . . 10.0 110.83 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.75 -45.35 74.16 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.918 -1.039 . . . . 10.0 112.67 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -65.25 -37.69 88.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.639 1.563 . . . . 10.0 112.743 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -68.31 -48.63 64.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.604 1.162 . . . . 10.0 112.19 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.602 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.6 mt -66.32 -35.48 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.624 0.77 . . . . 10.0 109.825 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.1 ttm -69.46 -34.67 74.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.915 0.78 . . . . 10.0 112.998 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.9 m -61.6 -44.31 97.23 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.794 0.838 . . . . 10.0 110.941 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.23 -45.01 82.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.251 0.62 . . . . 10.0 112.665 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -56.78 -51.39 69.1 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.966 1.306 . . . . 10.0 111.826 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.63 -40.52 73.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.858 0.463 . . . . 10.0 111.38 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.91 -48.52 73.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.869 0.867 . . . . 10.0 112.138 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -66.74 -40.28 88.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 10.0 112.086 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -63.66 -43.5 96.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.994 0.918 . . . . 10.0 112.133 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.4 -44.69 84.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.294 0.952 . . . . 10.0 112.322 172.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.67 91.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.1 -41.29 90.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.764 0.826 . . . . 10.0 112.326 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 m -62.06 -33.22 74.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.536 1.135 . . . . 10.0 113.126 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 m -59.79 -28.95 67.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.517 1.053 . . . . 10.0 113.824 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.91 -43.76 17.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.276 0.631 . . . . 10.0 112.382 172.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.29 -29.03 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.362 1.465 . . . . 10.0 112.469 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -51.92 -33.7 38.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.597 1.559 . . . . 10.0 112.831 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.309 1.044 . . . . 10.0 113.228 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 mmt -96.28 -38.7 9.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.723 1.209 . . . . 10.0 112.311 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.97 -31.97 73.2 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.322 -0.861 . . . . 10.0 113.215 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.82 -27.85 65.48 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.959 0.904 . . . . 10.0 113.169 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.83 -54.08 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.209 1.004 . . . . 10.0 109.864 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.68 -39.67 94.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -171.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.4 m -69.09 -3.48 13.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.663 1.357 . . . . 10.0 114.663 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.5 p -67.43 -15.98 63.97 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.3 151.13 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 125.216 1.406 . . . . 10.0 112.777 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.13 73.04 1.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.525 1.13 . . . . 10.0 110.797 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -131.9 1.21 3.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.586 1.154 . . . . 10.0 113.924 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -136.59 15.78 3.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.286 1.434 . . . . 10.0 113.265 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -63.9 -23.62 67.42 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.817 1.247 . . . . 10.0 113.296 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -134.8 155.68 50.19 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.038 1.735 . . . . 10.0 110.465 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -84.6 -1.76 56.44 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.071 1.138 . . . . 10.0 114.071 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -148.28 158.48 44.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.174 1.79 . . . . 10.0 110.337 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.109 1.363 . . . . 10.0 111.994 -170.376 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.256 -0.275 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -143.42 160.94 39.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.198 1.399 . . . . 10.0 111.759 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -62.67 152.27 82.01 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.736 0.814 . . . . 10.0 112.986 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.56 152.53 33.28 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 123.319 2.679 . . . . 10.0 112.659 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.07 159.71 51.48 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.15 2.567 . . . . 10.0 113.089 176.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.7 p -84.23 160.31 57.55 Favored Pre-proline 0 N--CA 1.469 0.485 0 C-N-CA 123.327 0.651 . . . . 10.0 110.101 168.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -54.26 -28.26 51.56 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.568 3.512 . . . . 10.0 114.501 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.08 -15.28 63.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.342 1.457 . . . . 10.0 113.903 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -118.68 -31.91 4.71 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.141 1.776 . . . . 10.0 112.127 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.72 58.27 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.265 1.426 . . . . 10.0 113.944 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.04 -30.31 25.06 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.928 1.691 . . . . 10.0 115.107 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -57.0 -23.71 48.15 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.15 1.38 . . . . 10.0 114.19 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.71 -18.47 62.8 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.938 -1.101 . . . . 10.0 113.445 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -140.24 16.87 2.42 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.733 1.213 . . . . 10.0 114.211 -173.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.9 p -68.41 47.91 0.06 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.961 2.504 . . . . 10.0 115.192 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.19 -39.21 0.02 OUTLIER Glycine 0 CA--C 1.533 1.166 0 C-N-CA 127.038 2.256 . . . . 10.0 112.192 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -69.27 -26.18 64.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.559 1.143 . . . . 10.0 113.948 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.8 mt -113.73 -8.74 13.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.066 1.346 . . . . 10.0 113.696 -177.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 m -57.21 -22.33 39.99 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.619 1.568 . . . . 10.0 114.197 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.28 -26.91 7.09 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.655 1.598 . . . . 10.0 115.2 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.2 tp -51.01 -28.67 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.644 1.578 . . . . 10.0 113.62 172.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.21 54.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.596 1.569 . . . . 10.0 115.417 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -91.33 -16.99 26.62 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -14.89 63.01 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.308 1.225 . . . . 10.0 114.308 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.28 -0.6 8.33 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -131.59 -64.59 0.79 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.715 2.006 . . . . 10.0 110.97 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.48 -24.73 67.95 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.22 1.008 . . . . 10.0 113.033 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.78 1.77 68.9 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.374 1.464 . . . . 10.0 114.212 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -125.22 -20.27 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.521 1.16 . . . . 10.0 112.84 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -53.39 -32.7 50.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.852 0.861 . . . . 10.0 110.344 168.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.59 -42.18 43.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.344 2.658 . . . . 10.0 114.72 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -43.67 85.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.897 1.279 . . . . 10.0 110.413 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -66.78 -40.04 88.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.192 0.597 . . . . 10.0 111.752 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.27 -42.06 99.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.035 0.934 . . . . 10.0 111.949 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.77 -41.24 95.11 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.117 0.967 . . . . 10.0 112.077 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -73.18 -39.3 65.72 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -67.71 -34.55 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.418 0.554 . . . . 10.0 111.815 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -37.33 85.16 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.29 -0.881 . . . . 10.0 112.058 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.51 -47.99 83.4 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.585 -0.697 . . . . 10.0 110.506 170.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.95 -26.52 67.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.516 1.527 . . . . 10.0 112.609 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -36.96 34.95 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.15 -33.78 76.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.041 1.291 . . . . 10.0 108.713 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.7 tp -70.25 -35.85 74.09 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 124.212 1.005 . . . . 10.0 111.833 169.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -64.12 -38.72 92.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 119.39 -2.069 . . . . 10.0 111.036 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -61.82 -31.73 71.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.159 0.984 . . . . 10.0 112.908 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -151.36 90.09 4.09 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.573 1.549 . . . . 10.0 112.215 170.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -49.22 -24.09 7.67 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.573 3.515 . . . . 10.0 118.445 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -130.14 27.89 5.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 116.167 1.914 . . . . 10.0 116.167 171.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.58 124.54 76.25 Favored Pre-proline 0 N--CA 1.468 0.449 0 N-CA-C 105.94 -1.874 . . . . 10.0 105.94 167.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 -27.42 25.48 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.598 1.532 . . . . 10.0 115.65 -168.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.33 -40.96 42.28 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.11 1.323 . . . . 10.0 110.788 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.6 75.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 119.442 1.019 . . . . 10.0 111.76 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 -36.54 41.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.935 0.894 . . . . 10.0 111.112 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.031 0.933 . . . . 10.0 111.246 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -66.08 -53.52 37.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.45 1.5 . . . . 10.0 110.928 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.29 -44.84 72.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 118.248 -0.882 . . . . 10.0 112.777 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -64.18 -41.01 97.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.181 1.355 . . . . 10.0 112.714 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 ttp -66.34 -46.2 77.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.172 0.989 . . . . 10.0 112.41 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.5 mt -70.52 -35.7 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.793 0.837 . . . . 10.0 110.009 178.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttm -69.14 -35.22 76.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.928 0.785 . . . . 10.0 112.868 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -58.71 -40.73 84.55 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.075 0.95 . . . . 10.0 111.464 170.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.45 -45.18 63.3 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.584 0.753 . . . . 10.0 112.666 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.25 -46.67 79.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.874 1.27 . . . . 10.0 112.653 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.54 -38.16 86.55 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.994 0.518 . . . . 10.0 111.705 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.83 -47.48 77.85 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.083 1.353 . . . . 10.0 111.644 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.18 -38.11 89.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.659 0.784 . . . . 10.0 112.852 171.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.91 -41.66 98.17 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.043 0.838 . . . . 10.0 112.875 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.64 87.8 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -63.7 -40.74 97.53 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.689 0.795 . . . . 10.0 112.267 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.1 m -60.52 -35.94 77.19 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.047 0.939 . . . . 10.0 112.601 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.5 m -65.17 -23.71 67.18 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.42 -32.71 16.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.962 0.905 . . . . 10.0 112.873 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.5 -33.03 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.142 1.377 . . . . 10.0 112.011 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -51.35 -21.91 2.54 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.539 1.536 . . . . 10.0 114.949 170.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.0 m -124.04 -35.69 2.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 10.0 112.766 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.14 -23.28 66.48 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.304 -0.872 . . . . 10.0 113.125 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -53.7 -31.68 48.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.85 1.056 . . . . 10.0 113.85 170.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 -29.79 68.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.536 1.134 . . . . 10.0 112.528 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mm -85.17 -42.59 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.157 1.383 . . . . 10.0 110.602 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.81 -40.93 70.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.145 1.378 . . . . 10.0 112.611 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.8 m -59.82 -8.05 1.96 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.002 1.721 . . . . 10.0 114.915 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -122.63 8.44 9.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.2 1.8 . . . . 10.0 113.325 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.8 tt -139.72 -16.79 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.709 1.204 . . . . 10.0 113.919 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.4 tp -141.7 165.19 28.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.858 1.663 . . . . 10.0 110.566 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.97 10.86 5.51 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.731 1.382 . . . . 10.0 114.731 -170.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 30.72 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.028 1.731 . . . . 10.0 115.38 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -52.06 142.86 15.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.284 1.834 . . . . 10.0 113.448 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -152.57 161.52 42.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.643 1.577 . . . . 10.0 110.957 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -135.84 12.4 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -169.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.56 146.73 44.09 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.269 -0.894 . . . . 10.0 112.084 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.616 1.567 . . . . 10.0 111.256 -175.948 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.378 -0.23 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -153.12 147.89 26.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.421 1.088 . . . . 10.0 111.104 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -158.72 156.42 26.95 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 10.0 110.965 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -81.46 162.55 19.51 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.153 2.568 . . . . 10.0 111.752 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.63 172.76 1.36 Allowed 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 124.183 3.255 . . . . 10.0 113.246 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -133.25 157.67 77.62 Favored Pre-proline 0 N--CA 1.481 1.111 0 C-N-CA 124.908 1.283 . . . . 10.0 112.142 174.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.68 138.82 32.32 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 124.924 3.75 . . . . 10.0 115.249 -173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.23 59.26 1.74 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 10.0 111.946 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.56 -32.01 68.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.062 0.945 . . . . 10.0 111.72 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.74 161.37 34.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.878 2.471 . . . . 10.0 108.815 169.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.03 -8.6 5.52 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.324 1.601 . . . . 10.0 115.324 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -125.46 -17.81 5.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.827 1.651 . . . . 10.0 113.808 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.57 -36.89 85.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.227 -1.545 . . . . 10.0 112.852 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -7.08 40.84 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.791 1.636 . . . . 10.0 115.374 175.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.4 p -59.04 -25.07 63.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -23.47 53.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.978 1.275 . . . . 10.0 115.296 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -119.74 -30.35 4.8 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.424 1.49 . . . . 10.0 112.944 -174.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.45 -24.12 59.0 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.57 -0.729 . . . . 10.0 112.407 169.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -0.03 -53.17 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.312 1 C-N-CA 132.916 4.486 . . . . 10.0 119.735 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.35 -43.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.844 2.164 . . . . 10.0 110.787 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.04 -52.38 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.257 1.423 . . . . 10.0 112.06 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.23 -43.6 10.48 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 123.331 0.491 . . . . 10.0 113.192 -170.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -61.45 -21.64 64.33 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.08 1.141 . . . . 10.0 114.08 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.57 56.36 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.631 1.715 . . . . 10.0 115.631 -173.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -103.65 13.8 32.46 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.679 1.191 . . . . 10.0 111.247 169.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -143.84 -9.73 0.7 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.241 1.817 . . . . 10.0 114.966 -168.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.71 -17.37 62.92 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 -169.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.72 6.6 54.93 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.438 1.494 . . . . 10.0 114.466 171.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.94 -15.12 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.036 1.734 . . . . 10.0 112.744 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -51.81 -22.07 3.37 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.384 1.474 . . . . 10.0 113.622 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.49 -41.41 63.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 10.0 112.891 169.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -38.86 79.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.411 1.084 . . . . 10.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.5 -38.62 87.98 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.531 -0.731 . . . . 10.0 111.546 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.44 -37.19 80.03 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.692 0.678 . . . . 10.0 112.808 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.47 -43.05 93.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.773 0.715 . . . . 10.0 111.198 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -70.49 -37.44 74.2 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -66.63 -34.71 78.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.737 0.815 . . . . 10.0 111.54 172.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.8 -39.35 93.45 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.431 -0.793 . . . . 10.0 111.664 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -61.06 -47.01 88.34 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.688 -0.632 . . . . 10.0 111.617 170.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.42 -25.95 68.24 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.465 1.906 . . . . 10.0 111.964 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -37.24 34.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 169.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.79 -35.91 81.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.171 1.35 . . . . 10.0 108.455 168.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.1 tp -69.03 -36.77 78.12 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.145 0.978 . . . . 10.0 112.223 169.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 m -63.68 -37.95 89.28 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 119.418 -2.051 . . . . 10.0 111.144 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.98 -33.62 73.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.477 1.111 . . . . 10.0 112.886 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -152.25 92.0 3.56 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 125.462 1.505 . . . . 10.0 111.866 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -48.63 -24.16 6.32 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.896 3.731 . . . . 10.0 118.357 -169.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.8 p -130.75 27.61 4.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 116.233 1.938 . . . . 10.0 116.233 171.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.15 127.03 85.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 106.241 -1.763 . . . . 10.0 106.241 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.53 -27.88 18.3 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 N-CA-C 115.636 1.36 . . . . 10.0 115.636 -168.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -73.67 -42.47 61.28 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.264 1.393 . . . . 10.0 110.639 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.6 79.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.475 1.034 . . . . 10.0 111.986 172.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -35.64 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.845 0.858 . . . . 10.0 110.933 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.01 97.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.085 0.954 . . . . 10.0 111.032 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.78 -53.51 39.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.523 1.529 . . . . 10.0 110.918 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -54.59 -44.56 73.15 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.144 -0.932 . . . . 10.0 112.668 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -65.01 -40.46 94.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.329 1.422 . . . . 10.0 112.684 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -66.3 -45.99 78.47 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.633 1.173 . . . . 10.0 112.357 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -70.0 -35.81 65.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 123.86 0.864 . . . . 10.0 110.186 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.8 ttm -68.01 -33.78 75.24 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.463 -0.773 . . . . 10.0 112.859 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -58.96 -42.53 90.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.978 0.911 . . . . 10.0 111.397 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.59 -43.51 72.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.903 . . . . 10.0 112.83 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -61.91 -43.29 99.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.102 1.361 . . . . 10.0 113.311 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.4 -33.32 74.95 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 111.676 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.72 -45.38 86.78 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.232 1.013 . . . . 10.0 112.433 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.51 -37.33 84.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.068 0.547 . . . . 10.0 112.351 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -44.36 94.37 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.646 0.778 . . . . 10.0 111.955 170.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -63.43 -39.29 94.1 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.415 1.086 . . . . 10.0 112.935 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.35 84.79 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.481 0.548 . . . . 10.0 112.481 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -62.93 -43.53 98.56 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.731 0.812 . . . . 10.0 111.708 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -63.15 -37.51 87.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.951 0.9 . . . . 10.0 112.413 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.1 m -64.97 -40.11 94.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.788 0.835 . . . . 10.0 112.108 174.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.49 97.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.675 -0.641 . . . . 10.0 112.565 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.8 -41.06 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.96 1.304 . . . . 10.0 111.666 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -61.1 -39.22 89.15 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.019 0.928 . . . . 10.0 112.27 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.1 m -66.73 -41.26 88.18 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.413 0.685 . . . . 10.0 112.627 170.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.1 ttt -62.78 -31.22 72.15 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.293 -0.879 . . . . 10.0 113.0 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.9 -28.65 67.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.22 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.532 -0.73 . . . . 10.0 112.785 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -75.12 -46.4 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.341 1.056 . . . . 10.0 109.929 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.18 -29.22 67.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.773 1.229 . . . . 10.0 113.466 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -56.14 -22.4 28.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.226 1.41 . . . . 10.0 114.018 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -78.08 3.47 14.86 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.334 . . . . 10.0 114.603 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.72 141.49 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.632 1.173 . . . . 10.0 113.154 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.16 -16.98 61.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.938 1.295 . . . . 10.0 114.293 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.5 158.33 36.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.561 1.144 . . . . 10.0 113.404 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -64.14 161.02 17.06 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.193 0.997 . . . . 10.0 112.635 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -146.57 157.38 43.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.299 1.44 . . . . 10.0 111.793 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -73.67 159.33 33.19 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.078 0.951 . . . . 10.0 112.381 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.16 -21.77 24.78 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.131 1.772 . . . . 10.0 115.199 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -56.81 -34.49 67.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.065 1.346 . . . . 10.0 113.462 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.864 1.666 . . . . 10.0 111.728 -169.456 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 110.533 -0.173 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 p -67.45 -15.8 63.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -143.77 156.83 59.18 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.929 1.692 . . . . 10.0 111.143 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -76.08 160.75 36.33 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.959 2.439 . . . . 10.0 111.4 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.46 -22.54 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.162 2.575 . . . . 10.0 113.541 172.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -79.87 158.44 72.81 Favored Pre-proline 0 N--CA 1.471 0.603 0 C-N-CA 124.456 1.102 . . . . 10.0 113.855 -171.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.65 153.92 39.81 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.641 3.561 . . . . 10.0 113.381 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.61 -42.04 91.72 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.265 1.026 . . . . 10.0 112.092 170.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -146.2 110.87 5.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.735 1.614 . . . . 10.0 109.882 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.87 69.56 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.54 -7.37 25.45 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.983 1.313 . . . . 10.0 114.014 173.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -142.02 28.46 1.72 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.099 1.76 . . . . 10.0 111.54 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -46.64 -37.76 8.7 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.319 2.248 . . . . 10.0 115.754 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -56.68 -19.04 14.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.175 1.79 . . . . 10.0 115.01 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 m -125.9 -21.75 4.3 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.19 1.396 . . . . 10.0 112.215 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.85 -33.69 60.4 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.741 1.638 . . . . 10.0 114.883 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -64.88 -18.86 65.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.744 1.387 . . . . 10.0 114.744 172.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.65 34.31 2.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.553 1.541 . . . . 10.0 112.814 -171.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -50.82 -29.86 12.78 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 127.137 2.175 . . . . 10.0 114.746 171.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.6 -39.06 0.54 Allowed Glycine 0 CA--C 1.533 1.217 0 C-N-CA 126.829 2.157 . . . . 10.0 111.191 -171.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.48 -40.44 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.5 1.52 . . . . 10.0 110.963 169.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -29.4 56.6 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.773 1.654 . . . . 10.0 115.673 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -98.25 -20.82 17.02 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.602 1.961 . . . . 10.0 113.026 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -19.99 29.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.73 -21.58 65.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -79.08 -6.2 55.88 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.449 1.5 . . . . 10.0 113.494 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.68 -22.73 36.86 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.014 1.726 . . . . 10.0 114.343 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.97 -0.35 89.66 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-O 118.731 -1.039 . . . . 10.0 115.255 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -2.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 119.271 1.536 . . . . 10.0 113.232 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -53.63 -28.68 34.18 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.187 -0.945 . . . . 10.0 113.09 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.17 -43.86 92.15 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.061 1.745 . . . . 10.0 113.734 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -34.19 38.33 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.649 1.18 . . . . 10.0 111.106 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.0 -35.82 79.67 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.339 -0.851 . . . . 10.0 112.192 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -69.32 -38.48 78.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.046 0.938 . . . . 10.0 112.326 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.497 0.719 . . . . 10.0 111.949 170.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -71.04 -37.15 72.55 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.846 0.859 . . . . 10.0 113.137 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -65.18 -36.55 84.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.604 0.762 . . . . 10.0 111.703 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.53 -38.3 90.53 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.54 -0.725 . . . . 10.0 111.817 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.92 -46.56 90.18 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.782 -0.574 . . . . 10.0 111.56 169.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.4 -23.43 66.31 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.155 1.382 . . . . 10.0 112.264 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -37.41 32.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.946 1.248 . . . . 10.0 113.977 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -62.52 -36.16 81.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.106 1.321 . . . . 10.0 108.348 168.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.92 -35.79 77.23 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.635 0.774 . . . . 10.0 112.305 169.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 m -64.94 -38.43 90.95 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 119.429 -2.044 . . . . 10.0 111.047 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.52 -33.69 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.539 1.136 . . . . 10.0 112.668 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.76 92.63 3.6 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.324 1.45 . . . . 10.0 112.305 169.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.45 -24.06 8.39 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 124.681 3.587 . . . . 10.0 118.156 -169.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.5 p -130.41 27.97 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 116.2 1.926 . . . . 10.0 116.2 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 126.61 85.6 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 106.277 -1.749 . . . . 10.0 106.277 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.66 -29.93 18.84 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 121.315 1.343 . . . . 10.0 115.582 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.14 -42.62 65.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.346 1.43 . . . . 10.0 110.886 170.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.76 78.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 119.5 1.045 . . . . 10.0 111.968 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -35.15 39.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.925 0.89 . . . . 10.0 111.125 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.38 98.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.301 1.041 . . . . 10.0 110.933 169.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -65.69 -53.57 39.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.373 1.469 . . . . 10.0 110.843 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.02 -44.98 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.061 -0.971 . . . . 10.0 112.772 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -64.57 -40.58 95.81 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.304 1.411 . . . . 10.0 112.686 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.2 ttp -65.23 -49.71 68.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.258 1.023 . . . . 10.0 111.918 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -67.37 -33.95 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.003 0.921 . . . . 10.0 110.163 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.7 ttm -70.17 -38.64 75.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.116 0.871 . . . . 10.0 112.992 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 t -57.27 -44.3 83.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.319 1.048 . . . . 10.0 110.908 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.09 -49.68 66.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 171.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -53.87 -48.58 69.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.453 1.501 . . . . 10.0 112.713 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.01 -39.96 54.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.602 0.361 . . . . 10.0 111.878 -171.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.25 -45.69 46.35 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.208 1.003 . . . . 10.0 112.304 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.73 -20.05 61.96 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.184 0.994 . . . . 10.0 113.474 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -47.05 -47.94 22.44 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.315 1.446 . . . . 10.0 112.909 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -66.41 -45.67 79.19 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.031 1.332 . . . . 10.0 112.81 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.9 66.73 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -175.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -59.93 -37.96 81.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 10.0 112.396 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -59.12 -24.04 62.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -98.64 -38.13 9.25 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.454 1.102 . . . . 10.0 112.505 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.1 73.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.157 0.983 . . . . 10.0 113.578 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 t -57.01 -32.55 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.409 1.484 . . . . 10.0 112.716 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.52 -18.01 63.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.528 1.131 . . . . 10.0 113.826 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 m -136.75 20.1 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.403 1.481 . . . . 10.0 113.277 -169.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 ptp -55.45 -34.28 64.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -169.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -37.61 64.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.101 0.864 . . . . 10.0 112.13 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.87 -38.48 88.91 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.492 -0.755 . . . . 10.0 111.577 173.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.39 -48.78 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.081 0.952 . . . . 10.0 110.895 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.39 -34.62 69.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 10.0 112.975 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 m -69.88 -8.72 50.99 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -138.54 17.03 2.72 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.449 1.5 . . . . 10.0 113.995 -170.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 tt -126.78 13.48 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 125.612 1.565 . . . . 10.0 112.527 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.54 159.26 13.35 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.677 1.591 . . . . 10.0 112.795 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -138.48 171.54 14.22 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.586 1.554 . . . . 10.0 111.551 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -132.92 166.35 22.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.839 1.656 . . . . 10.0 111.3 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.46 153.71 42.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.387 1.475 . . . . 10.0 111.74 178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -132.31 13.71 4.61 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.688 1.195 . . . . 10.0 113.233 -170.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -61.18 150.0 35.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.951 1.3 . . . . 10.0 112.603 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.31 153.21 34.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.341 1.456 . . . . 10.0 111.796 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.633 1.573 . . . . 10.0 111.601 -176.466 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 121.174 0.512 . . . . 10.0 111.007 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -62.08 -38.87 90.47 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.536 -0.728 . . . . 10.0 111.877 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.75 -43.74 95.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.95 1.3 . . . . 10.0 111.729 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.26 -39.85 88.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.165 0.586 . . . . 10.0 112.21 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.13 -38.89 66.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.705 0.802 . . . . 10.0 113.038 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -65.91 -34.57 78.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.604 0.638 . . . . 10.0 111.404 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.72 -38.42 90.92 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.46 -0.775 . . . . 10.0 111.924 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.92 88.08 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.395 -0.816 . . . . 10.0 111.164 169.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.18 -25.03 67.55 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.72 1.608 . . . . 10.0 112.463 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -37.6 32.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -63.31 -32.98 74.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.757 1.162 . . . . 10.0 108.581 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.64 -38.45 73.86 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 124.635 1.174 . . . . 10.0 111.984 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -61.77 -37.6 84.89 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 119.812 -1.805 . . . . 10.0 111.182 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.23 -31.53 71.31 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.71 86.8 4.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.567 1.547 . . . . 10.0 111.576 172.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -45.42 -27.64 3.43 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.769 3.646 . . . . 10.0 119.231 -169.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -127.65 29.67 5.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.509 1.67 . . . . 10.0 115.509 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.18 124.1 78.84 Favored Pre-proline 0 N--CA 1.47 0.551 0 N-CA-C 105.252 -2.129 . . . . 10.0 105.252 167.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.25 -26.32 25.41 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.572 1.515 . . . . 10.0 115.664 -168.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.59 -40.88 40.69 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.042 1.292 . . . . 10.0 110.8 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.9 77.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.541 1.064 . . . . 10.0 111.803 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -35.17 40.88 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 123.905 0.882 . . . . 10.0 110.927 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.37 98.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.842 0.857 . . . . 10.0 111.003 169.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.14 -53.6 42.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.553 1.541 . . . . 10.0 110.859 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -55.38 -45.31 76.59 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.027 -0.987 . . . . 10.0 112.637 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -65.97 -37.23 85.44 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 120.481 1.491 . . . . 10.0 112.863 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.8 ttp -68.2 -49.0 63.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.459 1.104 . . . . 10.0 112.27 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.55 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -66.23 -34.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.559 0.744 . . . . 10.0 109.699 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.9 ttm -68.53 -35.3 77.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.86 0.754 . . . . 10.0 112.963 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -60.53 -42.77 97.17 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.645 0.778 . . . . 10.0 111.159 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.05 -42.15 73.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.289 0.848 . . . . 10.0 113.289 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.12 -52.62 63.68 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.548 1.539 . . . . 10.0 111.3 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 . . . . . 0 CA--C 1.541 0.617 0 C-N-CA 122.507 0.323 . . . . 10.0 111.406 -174.697 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.5 t . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.716 0.265 . . . . 10.0 111.716 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.64 -18.87 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.353 1.461 . . . . 10.0 113.785 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -117.95 7.1 12.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.723 1.609 . . . . 10.0 113.39 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -31.32 65.01 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.77 -31.67 72.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.476 1.11 . . . . 10.0 113.223 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.32 -42.61 18.54 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.338 1.055 . . . . 10.0 111.307 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.35 -32.15 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.574 1.149 . . . . 10.0 111.926 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -61.41 -14.69 30.07 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.473 1.286 . . . . 10.0 114.473 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -126.41 -20.22 4.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.96 1.704 . . . . 10.0 113.452 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.474 0.761 0 C-N-CA 127.353 2.261 . . . . 10.0 110.648 -175.336 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.553 0 CA-C-O 121.348 0.594 . . . . 10.0 111.334 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -37.02 83.74 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.472 -0.767 . . . . 10.0 111.71 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.79 -42.04 86.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.487 1.115 . . . . 10.0 111.968 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.39 -40.21 85.84 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.672 0.789 . . . . 10.0 111.816 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.7 tp -71.26 -41.64 69.82 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.36 -32.53 74.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.359 0.527 . . . . 10.0 111.695 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.83 -40.35 83.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.387 -0.821 . . . . 10.0 112.124 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -57.64 -45.74 85.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.67 0.668 . . . . 10.0 111.01 171.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -29.0 70.11 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 125.819 1.648 . . . . 10.0 111.977 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.13 -34.11 38.03 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 120.028 1.286 . . . . 10.0 114.416 169.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.36 -35.04 77.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.938 1.245 . . . . 10.0 108.167 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.83 -36.02 72.71 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 125.469 1.507 . . . . 10.0 112.737 169.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -63.17 -38.05 89.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 119.503 -1.998 . . . . 10.0 110.801 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.88 -32.9 72.33 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -151.53 90.63 3.96 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.465 1.506 . . . . 10.0 111.932 170.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -48.6 -25.86 8.41 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 124.774 3.649 . . . . 10.0 118.088 -169.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 p -129.24 29.26 5.16 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.032 1.864 . . . . 10.0 116.032 171.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.17 124.8 82.04 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 105.541 -2.022 . . . . 10.0 105.541 167.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.71 -26.4 27.85 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.711 1.607 . . . . 10.0 115.546 -168.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 m -78.67 -40.19 34.67 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.987 1.267 . . . . 10.0 110.988 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.01 79.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.498 1.044 . . . . 10.0 111.622 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -35.66 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.925 0.89 . . . . 10.0 110.945 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.94 97.11 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 10.0 111.21 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.14 -54.52 28.5 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.301 1.44 . . . . 10.0 110.794 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -53.83 -44.22 70.08 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.182 -0.913 . . . . 10.0 112.874 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -65.19 -39.7 93.2 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.356 1.435 . . . . 10.0 112.735 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.97 -46.21 75.34 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.466 1.106 . . . . 10.0 112.342 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -70.56 -36.07 64.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.93 0.892 . . . . 10.0 109.886 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -69.91 -32.72 71.18 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.409 -0.807 . . . . 10.0 112.814 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -59.65 -35.95 75.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.971 0.908 . . . . 10.0 111.826 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.72 -41.81 36.53 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.023 0.929 . . . . 10.0 112.699 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -64.23 -43.45 94.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.892 1.277 . . . . 10.0 113.45 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.542 0.653 0 C-N-CA 123.469 0.707 . . . . 10.0 111.259 -176.445 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.472 0.626 0 N-CA-C 111.413 0.153 . . . . 10.0 111.413 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.84 -27.71 60.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.036 0.934 . . . . 10.0 112.82 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -58.77 -31.42 68.36 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.027 0.931 . . . . 10.0 113.381 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.7 tpt -60.91 -26.05 67.18 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -28.55 69.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.892 0.877 . . . . 10.0 113.078 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.65 -38.69 58.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.522 0.729 . . . . 10.0 112.08 171.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.04 -36.26 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.524 1.129 . . . . 10.0 111.786 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.15 -21.81 35.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.644 1.178 . . . . 10.0 113.808 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -58.38 -21.22 49.44 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.349 1.06 . . . . 10.0 113.613 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 114.778 1.399 . . . . 10.0 114.778 174.264 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 121.209 0.528 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -62.05 -36.08 80.56 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.547 -0.72 . . . . 10.0 111.916 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -64.04 -41.97 97.21 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.379 1.472 . . . . 10.0 111.934 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.98 -41.07 95.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 10.0 111.747 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.5 tp -72.35 -37.47 68.83 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.49 -33.16 74.54 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.516 0.727 . . . . 10.0 111.91 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.98 -42.63 97.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.919 0.782 . . . . 10.0 110.522 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.22 85.65 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 122.103 -0.373 . . . . 10.0 111.398 172.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.63 -25.89 65.96 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.99 1.316 . . . . 10.0 112.501 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.57 34.84 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 169.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.7 -33.5 75.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.497 1.044 . . . . 10.0 108.511 169.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.73 -36.12 70.37 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 125.058 1.343 . . . . 10.0 111.875 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -62.97 -38.23 90.29 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 119.512 -1.993 . . . . 10.0 111.032 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.31 -32.24 72.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.742 0.817 . . . . 10.0 113.156 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -151.23 89.89 4.16 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.474 1.51 . . . . 10.0 111.984 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -48.79 -24.37 6.9 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.693 3.595 . . . . 10.0 118.379 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -129.96 28.2 5.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 116.109 1.892 . . . . 10.0 116.109 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.3 70.08 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 105.434 -2.061 . . . . 10.0 105.434 167.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.54 -26.53 28.52 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 121.674 1.582 . . . . 10.0 115.17 -168.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -40.9 41.25 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.857 1.208 . . . . 10.0 110.917 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.75 79.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 119.653 1.115 . . . . 10.0 111.875 170.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -36.01 40.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.021 0.928 . . . . 10.0 110.791 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.67 97.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.788 0.835 . . . . 10.0 110.791 169.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.23 -53.92 37.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.512 1.525 . . . . 10.0 111.041 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.94 -44.32 78.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.892 -1.051 . . . . 10.0 112.491 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.03 -39.81 93.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.645 1.566 . . . . 10.0 112.835 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.53 -46.78 71.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.824 1.25 . . . . 10.0 112.296 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 39' ' ' ALA . 94.6 mt -68.64 -35.36 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.87 0.868 . . . . 10.0 110.059 175.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 38.1 ttm -69.15 -33.84 74.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 118.805 0.729 . . . . 10.0 112.761 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -58.57 -47.46 84.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.548 0.739 . . . . 10.0 110.603 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.24 -42.85 92.96 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.75 -49.35 78.07 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.505 1.122 . . . . 10.0 111.911 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 123.115 0.566 . . . . 10.0 111.29 -175.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 119.06 -0.495 . . . . 10.0 111.61 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -68.04 -32.32 72.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.486 1.039 . . . . 10.0 113.365 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -107.4 11.49 28.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.32 . . . . 10.0 113.525 -171.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -52.49 -34.78 50.93 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.204 1.365 . . . . 10.0 113.911 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -59.91 -12.46 7.78 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.041 2.136 . . . . 10.0 115.487 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.08 17.08 6.15 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.53 2.332 . . . . 10.0 111.583 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.71 -41.7 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.554 1.942 . . . . 10.0 109.667 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.59 -24.81 64.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.241 -0.912 . . . . 10.0 112.7 171.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -80.33 -9.82 59.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.236 1.814 . . . . 10.0 114.934 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -169.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 121.547 0.689 . . . . 10.0 110.922 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.05 -37.21 81.81 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.673 -0.642 . . . . 10.0 111.7 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.36 -37.54 77.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.76 . . . . 10.0 112.899 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.48 -41.41 94.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.859 0.864 . . . . 10.0 111.475 170.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -69.96 -37.95 75.97 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -64.58 -35.55 81.36 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.52 0.6 . . . . 10.0 111.803 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.26 -38.22 87.33 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.412 -0.805 . . . . 10.0 111.985 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.8 88.49 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.346 -0.846 . . . . 10.0 111.125 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.02 -25.68 67.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 125.466 1.506 . . . . 10.0 112.364 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -37.22 34.08 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 169.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -62.86 -34.46 77.42 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.8 1.182 . . . . 10.0 108.579 168.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.75 -35.66 72.75 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 124.699 1.199 . . . . 10.0 112.241 169.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -64.29 -38.28 90.48 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 119.38 -2.075 . . . . 10.0 110.999 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -32.93 72.58 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.877 0.871 . . . . 10.0 113.015 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -150.86 90.28 4.21 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.513 1.525 . . . . 10.0 112.308 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -48.94 -24.18 6.96 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 124.742 3.628 . . . . 10.0 118.33 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.7 p -130.17 27.89 5.06 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 116.221 1.934 . . . . 10.0 116.221 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.69 124.9 78.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 106.006 -1.85 . . . . 10.0 106.006 167.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.87 -27.83 25.44 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 121.515 1.477 . . . . 10.0 115.537 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -75.2 -42.46 55.61 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.141 1.337 . . . . 10.0 110.975 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 119.555 1.071 . . . . 10.0 111.793 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -36.39 40.59 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.885 0.874 . . . . 10.0 110.869 -177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.53 96.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.067 0.947 . . . . 10.0 111.165 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.77 -53.78 35.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.606 1.562 . . . . 10.0 110.893 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.39 -44.99 72.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.11 -0.948 . . . . 10.0 112.678 171.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -64.93 -39.31 93.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.274 1.397 . . . . 10.0 112.739 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 67.2 ttp -68.08 -46.06 72.08 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.548 1.139 . . . . 10.0 112.65 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -68.24 -35.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 123.922 0.889 . . . . 10.0 109.796 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.7 ttm -68.28 -34.89 76.99 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.457 -0.777 . . . . 10.0 113.054 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.7 m -61.15 -33.76 73.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.18 0.992 . . . . 10.0 112.089 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.16 -42.37 31.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.635 0.774 . . . . 10.0 112.679 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.36 -47.43 81.65 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.451 1.5 . . . . 10.0 112.39 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.546 0.81 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -171.497 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 118.398 -0.81 . . . . 10.0 112.189 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -54.51 -41.42 69.62 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.025 1.284 . . . . 10.0 112.671 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 m -72.97 -9.53 58.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.015 1.326 . . . . 10.0 114.561 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 tpt -112.47 -39.2 4.44 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.906 1.282 . . . . 10.0 112.312 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.01 -33.78 69.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.986 1.314 . . . . 10.0 112.621 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.29 -24.26 58.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.722 1.209 . . . . 10.0 113.887 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mm -98.99 -45.15 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.29 1.436 . . . . 10.0 110.805 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.13 -27.77 67.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.041 1.337 . . . . 10.0 113.548 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.2 t -51.64 -26.88 9.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.432 1.493 . . . . 10.0 113.828 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 CA--C 1.546 0.801 0 C-N-CA 124.994 1.317 . . . . 10.0 114.141 173.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.713 0.768 . . . . 10.0 110.72 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -65.48 -33.96 77.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.36 -0.838 . . . . 10.0 112.295 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.13 -39.33 89.79 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.842 0.857 . . . . 10.0 112.505 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.5 -40.7 87.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.916 0.886 . . . . 10.0 111.355 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.33 -38.05 71.7 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.66 0.784 . . . . 10.0 112.879 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.94 -32.93 74.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.547 0.612 . . . . 10.0 112.188 170.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.98 -36.97 83.37 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.206 -0.934 . . . . 10.0 111.837 169.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.46 -47.13 87.46 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.332 -0.855 . . . . 10.0 110.811 169.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.92 -24.97 67.69 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.436 1.494 . . . . 10.0 112.31 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.39 -37.33 32.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -63.6 -33.55 75.86 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.723 1.147 . . . . 10.0 108.607 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.8 -37.36 73.26 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 124.729 1.212 . . . . 10.0 112.005 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -62.81 -38.0 88.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.779 -1.826 . . . . 10.0 111.032 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -59.87 -34.07 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.24 86.49 4.78 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.315 1.446 . . . . 10.0 111.59 174.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -47.06 -23.52 2.77 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.89 3.727 . . . . 10.0 119.439 -169.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -130.07 31.05 4.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 124.4 82.0 Favored Pre-proline 0 N--CA 1.47 0.538 0 N-CA-C 105.445 -2.057 . . . . 10.0 105.445 167.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.98 -25.46 27.55 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.695 1.597 . . . . 10.0 115.363 -168.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 m -78.72 -41.07 31.9 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.883 1.22 . . . . 10.0 110.858 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.7 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.465 1.03 . . . . 10.0 111.765 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -35.15 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.213 1.005 . . . . 10.0 110.806 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.43 98.46 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.873 0.869 . . . . 10.0 110.79 169.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.68 -53.5 40.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.624 1.57 . . . . 10.0 110.949 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.39 -46.01 73.01 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.909 -1.043 . . . . 10.0 112.442 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -64.61 -39.79 94.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.527 1.512 . . . . 10.0 112.693 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.87 -47.3 75.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.694 1.198 . . . . 10.0 112.575 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.8 mt -69.08 -35.52 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.738 0.815 . . . . 10.0 109.748 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.0 ttm -68.39 -33.95 75.17 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -59.72 -45.66 91.48 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.861 0.755 . . . . 10.0 110.93 169.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.5 -44.81 89.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.29 0.636 . . . . 10.0 112.564 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.6 -48.2 82.82 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.42 1.088 . . . . 10.0 112.534 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 . . . . . 0 CA--C 1.537 0.466 0 C-N-CA 123.477 0.711 . . . . 10.0 110.903 -175.507 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 110.538 -0.171 . . . . 10.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.94 -22.86 67.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.1 1.36 . . . . 10.0 114.31 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -118.52 11.95 13.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.938 1.695 . . . . 10.0 113.014 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.18 -38.37 57.59 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.383 1.073 . . . . 10.0 113.606 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.35 -23.24 66.94 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.027 1.331 . . . . 10.0 114.078 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -87.84 -41.29 13.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.562 1.145 . . . . 10.0 111.459 172.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -34.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.029 0.932 . . . . 10.0 111.848 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.84 -16.82 19.06 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.3 1.44 . . . . 10.0 114.814 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.5 m -125.49 -8.39 6.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.811 1.644 . . . . 10.0 113.836 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 10.0 111.159 -173.27 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.697 0.76 . . . . 10.0 111.072 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.697 0.76 . . . . 10.0 111.072 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t . . . . . 0 N--CA 1.47 0.557 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.027 0.442 . . . . 10.0 110.509 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.17 -38.03 89.56 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.661 -0.649 . . . . 10.0 111.599 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.01 -41.64 90.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.743 1.217 . . . . 10.0 112.313 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.0 -41.3 96.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.639 0.776 . . . . 10.0 112.054 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.43 -36.97 68.7 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.28 1.032 . . . . 10.0 113.047 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.23 -34.01 77.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.294 0.638 . . . . 10.0 111.616 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.25 -36.57 81.89 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.405 -0.809 . . . . 10.0 111.761 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.38 89.91 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.53 -0.732 . . . . 10.0 110.657 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.25 -24.67 66.63 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.385 1.474 . . . . 10.0 112.39 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -38.18 32.38 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.947 1.249 . . . . 10.0 113.803 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.85 -32.47 73.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.89 1.223 . . . . 10.0 109.107 169.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.61 -36.63 68.12 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.54 1.136 . . . . 10.0 111.867 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -63.14 -37.91 89.11 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 119.373 -2.079 . . . . 10.0 111.091 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -61.28 -32.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.513 1.125 . . . . 10.0 112.598 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -152.39 91.22 3.62 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.859 1.664 . . . . 10.0 112.049 169.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -48.69 -24.28 6.59 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 124.73 3.62 . . . . 10.0 118.35 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -130.15 27.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.73 124.55 76.74 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 105.55 -2.019 . . . . 10.0 105.55 167.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.16 -27.08 25.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 121.548 1.499 . . . . 10.0 115.229 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 m -76.49 -40.77 49.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.816 1.189 . . . . 10.0 110.961 170.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.49 80.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 119.498 1.044 . . . . 10.0 111.885 170.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -35.33 44.05 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.919 0.888 . . . . 10.0 110.779 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.67 98.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.022 0.929 . . . . 10.0 110.963 169.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -64.92 -54.09 36.19 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.458 1.503 . . . . 10.0 110.986 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -55.33 -44.41 75.85 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.8 171.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -66.54 -37.96 86.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.282 1.401 . . . . 10.0 112.783 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.0 ttp -66.21 -48.61 70.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.533 1.133 . . . . 10.0 112.289 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.3 mt -68.21 -36.69 76.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 123.663 0.785 . . . . 10.0 109.819 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.6 -34.72 76.28 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.025 0.829 . . . . 10.0 113.074 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -59.89 -47.99 83.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.897 0.879 . . . . 10.0 110.669 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.66 -43.81 92.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.73 -47.98 83.48 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.687 1.195 . . . . 10.0 112.529 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 123.068 0.547 . . . . 10.0 110.617 -179.735 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 119.798 -0.144 . . . . 10.0 111.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.76 -51.65 68.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.576 0.75 . . . . 10.0 111.037 169.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -59.54 -38.06 80.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.271 1.028 . . . . 10.0 113.311 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 ttt -57.1 -46.28 82.72 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.854 0.752 . . . . 10.0 111.964 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.65 -37.4 65.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.474 1.109 . . . . 10.0 112.485 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.8 -46.81 83.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.585 1.154 . . . . 10.0 112.021 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.81 -36.36 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.243 1.017 . . . . 10.0 111.868 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.26 -32.6 74.26 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.464 -0.773 . . . . 10.0 112.702 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t -86.4 -36.04 19.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.022 1.329 . . . . 10.0 113.448 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.9 m . . . . . 0 N--CA 1.472 0.67 0 C-N-CA 126.66 1.984 . . . . 10.0 110.687 -170.007 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.331 0.586 . . . . 10.0 110.379 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.53 -37.58 87.84 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.499 -0.75 . . . . 10.0 112.09 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -40.68 97.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 10.0 112.22 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.96 -40.37 95.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.012 0.525 . . . . 10.0 111.814 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -73.72 -37.86 65.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.14 -33.2 75.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.857 0.753 . . . . 10.0 112.132 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.75 -38.08 88.12 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.277 -0.889 . . . . 10.0 111.751 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.24 -47.57 85.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.624 -0.673 . . . . 10.0 110.963 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.87 -25.69 66.53 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 125.67 1.588 . . . . 10.0 112.602 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.58 34.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.145 1.339 . . . . 10.0 114.529 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.66 -29.71 70.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.006 1.276 . . . . 10.0 108.669 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tp -74.48 -37.18 63.26 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.97 0.908 . . . . 10.0 111.806 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 m -63.05 -35.88 81.7 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.357 -2.09 . . . . 10.0 110.936 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -35.31 74.01 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.139 1.776 . . . . 10.0 112.429 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -154.34 93.81 2.86 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.756 1.622 . . . . 10.0 111.328 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -48.52 -24.61 6.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.425 3.417 . . . . 10.0 118.213 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.1 p -129.97 28.68 5.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 121.51 56.3 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.376 -2.083 . . . . 10.0 105.376 167.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.93 -26.85 31.2 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 121.717 1.612 . . . . 10.0 114.857 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.1 m -75.9 -42.32 49.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.79 1.177 . . . . 10.0 110.736 170.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.27 76.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.641 1.11 . . . . 10.0 112.131 171.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -35.26 37.91 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 110.908 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.47 99.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.02 0.928 . . . . 10.0 110.885 169.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -65.26 -52.97 51.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.485 1.514 . . . . 10.0 110.877 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -54.47 -45.46 73.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.791 170.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.28 -38.57 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.292 1.406 . . . . 10.0 112.478 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.62 -48.99 67.74 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.309 1.044 . . . . 10.0 112.343 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -69.45 -34.92 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 10.0 110.035 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.8 ttm -70.0 -33.78 72.48 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 121.56 -0.712 . . . . 10.0 112.413 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 m -60.33 -46.58 89.41 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.408 0.683 . . . . 10.0 110.56 169.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.14 -43.39 92.03 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -59.09 -49.11 79.13 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.74 1.216 . . . . 10.0 111.897 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 . . . . . 0 CA--C 1.539 0.541 0 C-N-CA 123.011 0.525 . . . . 10.0 111.161 -177.518 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.531 0.937 . . . . 10.0 113.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -113.17 -8.07 13.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.296 1.438 . . . . 10.0 114.006 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -140.74 19.55 2.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.541 1.537 . . . . 10.0 113.484 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 tpt -48.66 -48.74 39.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.113 1.365 . . . . 10.0 114.344 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.49 -28.44 66.06 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.54 -44.69 64.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.307 0.643 . . . . 10.0 111.135 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.01 -47.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.238 0.615 . . . . 10.0 110.523 175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.24 -15.72 17.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.672 1.189 . . . . 10.0 114.136 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.0 m -106.8 -10.5 16.05 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.44 1.496 . . . . 10.0 114.354 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 116.305 1.965 . . . . 10.0 116.305 -169.531 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 121.029 0.443 . . . . 10.0 110.804 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.35 -40.4 90.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.706 -0.621 . . . . 10.0 111.3 170.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.47 -37.56 80.28 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.422 1.089 . . . . 10.0 112.493 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.11 -42.81 95.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.14 0.576 . . . . 10.0 111.596 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.1 -37.25 69.57 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.929 0.892 . . . . 10.0 112.994 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -66.48 -34.48 78.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.669 0.787 . . . . 10.0 111.455 171.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.73 -37.16 85.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.806 0.73 . . . . 10.0 111.674 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.48 -47.58 85.51 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.477 -0.764 . . . . 10.0 110.782 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -66.78 -24.79 66.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.576 1.551 . . . . 10.0 112.659 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -37.52 33.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.965 1.257 . . . . 10.0 114.258 169.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -64.56 -32.3 73.89 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.65 1.114 . . . . 10.0 109.0 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.1 tp -71.94 -34.34 68.95 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.186 0.995 . . . . 10.0 111.624 168.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -65.3 -38.73 91.14 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 119.264 -2.147 . . . . 10.0 110.994 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -60.81 -32.18 71.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.742 0.817 . . . . 10.0 112.903 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -151.24 89.89 4.16 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.432 1.493 . . . . 10.0 112.431 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -48.91 -24.56 7.4 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 124.695 3.597 . . . . 10.0 118.483 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.3 p -130.02 28.35 5.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 171.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.38 125.01 80.86 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.57 -27.91 26.81 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.742 1.628 . . . . 10.0 115.632 -168.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 m -77.14 -41.29 42.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.99 1.268 . . . . 10.0 111.04 171.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.11 74.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 119.601 1.091 . . . . 10.0 111.743 170.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -35.99 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.949 0.899 . . . . 10.0 111.125 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.79 97.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.037 0.935 . . . . 10.0 111.225 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.58 -53.12 46.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.512 1.525 . . . . 10.0 110.909 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.44 -45.44 73.05 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 118.112 -0.947 . . . . 10.0 112.784 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.33 -38.59 90.61 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.271 1.396 . . . . 10.0 112.579 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.4 ttp -67.64 -48.48 66.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.352 1.061 . . . . 10.0 112.579 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -66.79 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.616 0.766 . . . . 10.0 109.697 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 ttm -68.76 -35.56 77.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.196 0.907 . . . . 10.0 113.07 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -60.67 -45.68 93.24 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.843 0.857 . . . . 10.0 111.246 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -67.48 -41.69 84.17 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.484 0.714 . . . . 10.0 112.678 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.49 -50.62 72.45 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.179 1.392 . . . . 10.0 111.977 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 122.867 0.467 . . . . 10.0 111.008 -176.282 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 t . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 119.557 -0.259 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -54.76 -38.96 67.84 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.134 1.374 . . . . 10.0 112.971 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 12.81 19.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.89 1.276 . . . . 10.0 113.518 -171.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.4 ttp -51.08 -44.86 61.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.534 1.134 . . . . 10.0 113.784 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.3 -27.81 69.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.06 -40.28 17.0 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.312 1.045 . . . . 10.0 111.474 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.39 -41.19 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.974 1.31 . . . . 10.0 111.303 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.73 -34.96 76.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.832 0.853 . . . . 10.0 113.133 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -77.92 -35.47 50.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.321 1.048 . . . . 10.0 112.357 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m . . . . . 0 N--CA 1.475 0.805 0 C-N-CA 126.059 1.744 . . . . 10.0 114.529 -178.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 CA-C-O 121.805 0.812 . . . . 10.0 110.734 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.63 -33.78 75.72 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.527 -0.733 . . . . 10.0 111.855 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.41 -48.57 80.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.704 1.202 . . . . 10.0 110.817 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -57.65 -38.47 75.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.352 0.661 . . . . 10.0 111.655 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.9 tp -73.72 -39.1 64.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.75 -32.37 73.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.755 0.707 . . . . 10.0 112.102 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.48 -42.38 92.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.935 1.294 . . . . 10.0 110.849 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.53 -46.89 85.87 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.447 -0.783 . . . . 10.0 111.129 170.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -66.44 -24.7 66.49 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.155 1.382 . . . . 10.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -37.57 32.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.039 1.29 . . . . 10.0 114.282 169.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -62.91 -34.88 78.35 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.723 1.147 . . . . 10.0 108.512 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.13 -35.25 73.95 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 124.611 1.164 . . . . 10.0 112.167 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 m -64.56 -38.33 90.64 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 119.421 -2.049 . . . . 10.0 110.941 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.98 -30.89 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.108 0.781 . . . . 10.0 113.108 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -151.8 90.59 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.468 1.507 . . . . 10.0 112.302 170.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -49.14 -24.51 8.0 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.716 3.611 . . . . 10.0 118.416 -169.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -129.95 29.29 4.98 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 116.001 1.852 . . . . 10.0 116.001 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.24 125.31 83.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.651 -1.981 . . . . 10.0 105.651 167.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.04 -24.82 23.41 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 121.604 1.536 . . . . 10.0 115.569 -168.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -78.79 -40.93 31.74 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.047 1.294 . . . . 10.0 110.712 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.24 78.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.273 0.942 . . . . 10.0 111.813 169.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -35.34 40.07 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.919 0.888 . . . . 10.0 110.966 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.16 98.59 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.796 0.838 . . . . 10.0 110.918 169.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -65.25 -53.25 47.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.362 1.465 . . . . 10.0 110.939 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.49 -45.77 73.29 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.022 -0.99 . . . . 10.0 112.584 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.11 -37.99 89.25 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.5 1.5 . . . . 10.0 112.941 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -68.6 -46.42 69.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.587 1.155 . . . . 10.0 112.474 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -69.34 -35.48 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -67.78 -32.16 72.55 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.465 -0.772 . . . . 10.0 112.555 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.8 m -62.16 -41.93 98.78 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.428 0.691 . . . . 10.0 111.343 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.4 -42.2 79.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -62.65 -44.44 96.27 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.233 1.013 . . . . 10.0 112.28 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 123.365 0.666 . . . . 10.0 111.202 -179.324 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 t . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 119.508 -0.282 . . . . 10.0 110.703 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.15 -33.32 67.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.656 0.782 . . . . 10.0 112.597 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -65.15 -4.4 4.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.025 1.73 . . . . 10.0 114.912 174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -54.47 -27.9 40.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.422 1.464 . . . . 10.0 114.114 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -65.05 -32.3 73.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.664 1.186 . . . . 10.0 113.257 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -77.41 -37.88 50.92 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 10.0 111.455 172.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.12 -41.4 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.52 0.728 . . . . 10.0 111.439 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.72 -23.77 53.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.03 1.332 . . . . 10.0 114.183 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -74.82 -12.19 60.33 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.0 m . . . . . 0 N--CA 1.48 1.065 0 C-N-CA 125.126 1.37 . . . . 10.0 114.598 -171.875 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.567 0.699 . . . . 10.0 111.097 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -62.22 -38.7 90.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.611 -0.681 . . . . 10.0 111.904 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.63 -39.42 88.28 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.928 1.291 . . . . 10.0 112.161 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -58.88 -41.47 87.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.366 0.666 . . . . 10.0 111.426 170.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.29 -39.95 64.92 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.396 0.887 . . . . 10.0 113.396 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.47 -32.12 73.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.48 0.582 . . . . 10.0 111.718 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.98 -37.33 84.03 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.394 -0.816 . . . . 10.0 111.697 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.74 -46.99 88.3 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.375 -0.828 . . . . 10.0 111.025 169.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -66.65 -25.33 66.52 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.363 1.465 . . . . 10.0 112.523 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.72 34.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.115 1.325 . . . . 10.0 114.305 169.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -64.94 -32.29 73.93 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.667 1.121 . . . . 10.0 109.086 168.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.5 tp -72.13 -33.69 67.98 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 124.177 0.991 . . . . 10.0 111.75 168.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -65.35 -38.99 91.76 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 119.359 -2.088 . . . . 10.0 110.956 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -60.49 -33.28 72.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.745 0.818 . . . . 10.0 112.875 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -150.4 92.09 4.04 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.188 1.395 . . . . 10.0 112.452 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -51.41 -18.35 5.4 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 124.923 3.749 . . . . 10.0 118.472 -170.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.313 30.6 t -137.59 34.59 2.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 169.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.23 126.31 91.1 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 104.648 -2.352 . . . . 10.0 104.648 167.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.16 -26.76 25.34 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.51 1.473 . . . . 10.0 115.723 -168.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -76.92 -41.29 44.04 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.117 1.326 . . . . 10.0 110.879 170.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.25 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.604 1.093 . . . . 10.0 111.916 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.46 -36.09 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.778 0.831 . . . . 10.0 110.98 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.24 95.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.84 0.856 . . . . 10.0 111.119 169.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -66.2 -53.74 33.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.51 1.524 . . . . 10.0 110.962 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.24 -43.65 74.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.161 -0.923 . . . . 10.0 112.998 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.03 -43.07 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.147 1.34 . . . . 10.0 112.181 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.9 ttp -64.36 -48.3 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.224 1.01 . . . . 10.0 112.295 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.6 mt -68.52 -35.62 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.782 0.833 . . . . 10.0 110.206 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.0 ttm -69.07 -36.67 77.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.012 0.824 . . . . 10.0 112.72 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -56.84 -43.72 81.37 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.694 0.797 . . . . 10.0 111.184 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.52 -44.11 71.67 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.504 0.928 . . . . 10.0 113.504 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -58.99 -48.46 81.48 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.802 1.241 . . . . 10.0 112.23 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.8 t30 . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 123.336 0.654 . . . . 10.0 111.177 -177.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.6 t . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.561 0.578 . . . . 10.0 112.561 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.07 3.03 27.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.6 1.96 . . . . 10.0 113.307 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -135.17 10.21 3.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.815 1.646 . . . . 10.0 113.491 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -50.01 -44.64 51.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.686 1.594 . . . . 10.0 113.843 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.63 -33.02 73.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.23 -37.23 66.46 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.623 0.769 . . . . 10.0 111.835 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.99 -44.46 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.051 0.94 . . . . 10.0 110.7 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.7 -39.83 85.89 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.349 1.06 . . . . 10.0 112.251 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.2 m -68.18 -4.54 14.25 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.225 1.41 . . . . 10.0 114.336 171.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 N--CA 1.475 0.814 0 C-N-CA 126.269 1.828 . . . . 10.0 113.293 -176.161 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.649 0.738 . . . . 10.0 110.777 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.567 -0.708 . . . . 10.0 111.866 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.72 -38.12 86.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.941 0.896 . . . . 10.0 112.537 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.83 -39.81 86.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.84 0.856 . . . . 10.0 111.47 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -72.45 -38.47 68.26 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 113.033 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -65.99 -33.08 74.99 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.63 0.65 . . . . 10.0 111.994 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.03 -37.24 85.38 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.396 -0.815 . . . . 10.0 111.824 170.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.44 -48.1 83.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.458 -0.776 . . . . 10.0 110.691 169.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.05 -24.66 66.78 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.383 1.473 . . . . 10.0 112.446 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -36.78 34.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 169.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -65.17 -32.68 74.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.091 1.314 . . . . 10.0 108.667 168.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.42 -36.48 71.33 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 123.892 0.877 . . . . 10.0 111.505 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.0 m -64.24 -37.41 87.38 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 119.316 -2.115 . . . . 10.0 110.984 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -59.4 -36.2 75.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.853 1.661 . . . . 10.0 112.57 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -151.54 92.2 3.72 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.241 1.416 . . . . 10.0 112.143 169.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -48.45 -26.19 8.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 124.879 3.72 . . . . 10.0 118.46 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.5 p -129.94 28.02 5.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.973 1.842 . . . . 10.0 115.973 171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.59 125.45 82.51 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 167.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.17 -26.86 25.21 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.526 1.484 . . . . 10.0 115.547 -168.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -77.57 -40.53 42.03 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.098 1.317 . . . . 10.0 111.024 171.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 119.668 1.122 . . . . 10.0 111.811 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -36.06 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.883 0.873 . . . . 10.0 110.944 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.65 97.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.965 0.906 . . . . 10.0 111.009 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.54 -53.94 35.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.542 1.537 . . . . 10.0 110.902 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -55.3 -43.84 75.21 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.335 -0.84 . . . . 10.0 112.921 171.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.85 -39.64 90.96 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 120.236 1.38 . . . . 10.0 112.698 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.2 ttp -66.52 -47.46 72.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.456 1.103 . . . . 10.0 112.442 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 39' ' ' ALA . 95.4 mt -68.83 -36.75 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.852 0.861 . . . . 10.0 110.058 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -69.2 -36.22 77.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.953 0.797 . . . . 10.0 112.837 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.8 t -57.34 -50.09 74.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.765 0.826 . . . . 10.0 110.437 170.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.88 -43.08 97.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.78 -48.28 81.78 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.09 1.356 . . . . 10.0 112.239 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 t30 . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 122.634 0.374 . . . . 10.0 111.52 -175.703 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 112.783 0.66 . . . . 10.0 112.783 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.59 -0.96 42.09 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.136 1.375 . . . . 10.0 114.056 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.6 m -135.86 -9.02 2.1 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -46.32 -46.04 17.91 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.044 1.498 . . . . 10.0 115.044 -169.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.59 -29.99 71.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.304 1.042 . . . . 10.0 113.698 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -85.55 -40.21 16.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.067 0.947 . . . . 10.0 111.992 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.54 -35.43 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.986 0.914 . . . . 10.0 111.767 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.95 -16.98 7.96 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.897 1.279 . . . . 10.0 114.355 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.4 m -126.86 9.01 6.88 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.499 1.919 . . . . 10.0 113.104 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.477 0.905 0 C-N-CA 125.37 1.468 . . . . 10.0 112.311 -173.234 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 CA-C-O 121.178 0.514 . . . . 10.0 111.046 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -61.11 -38.26 85.68 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.453 -0.779 . . . . 10.0 111.251 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -58.7 -46.7 86.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.763 2.025 . . . . 10.0 111.888 170.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -61.73 -40.64 95.8 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.103 0.561 . . . . 10.0 112.014 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -74.2 -39.19 63.3 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.7 -30.96 70.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.441 0.564 . . . . 10.0 111.888 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.21 -37.42 83.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.914 0.779 . . . . 10.0 111.267 169.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -47.13 87.23 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.469 -0.769 . . . . 10.0 110.705 169.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.08 -23.81 66.59 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.05 1.34 . . . . 10.0 112.568 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.15 -38.72 30.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.048 1.295 . . . . 10.0 114.232 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -62.61 -34.6 77.35 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.942 1.246 . . . . 10.0 108.768 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.39 -35.83 76.18 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 124.478 1.111 . . . . 10.0 111.962 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -63.45 -38.61 91.8 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 119.802 -1.811 . . . . 10.0 110.818 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -59.83 -32.74 70.95 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.77 87.77 4.35 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.424 1.489 . . . . 10.0 111.958 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -47.06 -24.45 3.36 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.957 3.771 . . . . 10.0 119.284 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 p -129.98 30.95 4.76 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 171.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 125.04 84.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 168.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.06 -25.93 26.7 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 121.583 1.522 . . . . 10.0 115.598 -168.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -78.33 -41.17 34.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.066 1.303 . . . . 10.0 110.86 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.05 -41.9 75.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.402 1.001 . . . . 10.0 111.771 170.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.83 -35.18 38.71 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.939 0.895 . . . . 10.0 110.932 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.8 98.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.825 0.85 . . . . 10.0 111.013 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.09 -53.56 43.63 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.575 1.55 . . . . 10.0 110.806 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -54.27 -45.63 72.5 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.127 -0.939 . . . . 10.0 112.735 171.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -65.85 -37.08 85.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.41 1.459 . . . . 10.0 112.892 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -69.18 -46.15 68.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.614 1.165 . . . . 10.0 112.696 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -68.88 -36.14 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.654 0.782 . . . . 10.0 109.809 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.6 ttm -68.27 -33.97 75.34 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.557 -0.714 . . . . 10.0 112.677 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.0 m -60.46 -47.2 87.13 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.424 0.69 . . . . 10.0 110.719 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.6 -45.27 91.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.398 0.679 . . . . 10.0 112.717 174.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.54 -48.52 79.08 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.05 1.34 . . . . 10.0 112.127 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.6 t30 . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 123.033 0.533 . . . . 10.0 111.27 -176.306 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 112.751 0.649 . . . . 10.0 112.751 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -94.76 4.73 53.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.297 1.439 . . . . 10.0 113.745 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 m -125.17 4.67 7.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.939 1.696 . . . . 10.0 112.895 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.0 ttt -56.44 -37.58 70.45 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.108 1.151 . . . . 10.0 114.108 -169.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -65.96 -44.15 85.83 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.184 0.902 . . . . 10.0 111.429 177.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.64 -40.41 96.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.543 0.737 . . . . 10.0 111.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.9 -38.76 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.441 1.096 . . . . 10.0 111.337 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.9 -39.68 90.83 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.21 -0.931 . . . . 10.0 112.397 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.0 m -67.49 -36.19 80.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.998 0.919 . . . . 10.0 113.155 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 10.0 110.341 173.61 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 121.082 0.468 . . . . 10.0 110.677 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -32.33 73.32 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.356 -0.84 . . . . 10.0 112.017 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.1 -42.75 84.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.608 1.563 . . . . 10.0 111.777 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.02 -42.27 93.98 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.62 0.768 . . . . 10.0 111.494 172.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -72.4 -38.35 68.45 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.382 0.882 . . . . 10.0 113.382 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.22 -33.36 75.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.952 0.901 . . . . 10.0 111.759 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.49 -39.01 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.53 0.732 . . . . 10.0 111.584 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.99 -47.77 83.97 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.669 -0.644 . . . . 10.0 110.853 169.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.82 -25.66 66.55 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.739 1.616 . . . . 10.0 112.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.29 -36.98 33.64 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.889 1.222 . . . . 10.0 114.266 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -63.87 -33.34 75.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.831 1.196 . . . . 10.0 108.767 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tp -70.9 -36.2 72.62 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.315 1.046 . . . . 10.0 111.923 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 m -63.45 -38.18 90.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 119.528 -1.983 . . . . 10.0 111.058 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.61 -32.99 73.14 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.172 0.989 . . . . 10.0 112.974 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -150.88 90.89 4.1 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.441 1.497 . . . . 10.0 112.154 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -48.78 -24.15 6.62 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 124.773 3.649 . . . . 10.0 118.38 -169.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -130.49 27.91 4.97 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.74 124.98 78.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 105.832 -1.914 . . . . 10.0 105.832 167.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 -25.3 24.28 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.62 1.547 . . . . 10.0 115.545 -168.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -77.74 -41.8 36.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.08 1.309 . . . . 10.0 110.808 170.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.35 74.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.472 1.033 . . . . 10.0 111.881 170.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -35.27 38.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.001 0.92 . . . . 10.0 111.107 -177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.44 98.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.809 0.844 . . . . 10.0 111.026 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.48 -53.67 39.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.567 1.547 . . . . 10.0 110.58 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -54.27 -44.9 72.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.064 -0.969 . . . . 10.0 112.854 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.93 -39.73 93.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.397 1.453 . . . . 10.0 112.688 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -66.66 -47.7 71.7 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.494 1.118 . . . . 10.0 112.085 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.5 mt -69.01 -36.06 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.839 0.855 . . . . 10.0 110.256 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -68.54 -33.32 73.9 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.502 -0.749 . . . . 10.0 112.374 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -58.7 -49.03 79.08 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.501 0.72 . . . . 10.0 110.607 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.31 -44.29 95.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.82 -48.56 80.89 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.866 1.266 . . . . 10.0 112.191 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.536 0.433 0 C-N-CA 123.307 0.643 . . . . 10.0 111.584 -174.226 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 t . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 113.213 0.82 . . . . 10.0 113.213 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -91.66 -38.64 12.31 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.831 0.853 . . . . 10.0 112.836 173.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -22.24 63.8 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -30.81 32.63 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -67.15 -26.2 66.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.51 -31.22 69.34 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.583 -0.698 . . . . 10.0 112.035 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.7 mm -71.14 -40.1 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.208 1.003 . . . . 10.0 110.927 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.34 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.737 0.815 . . . . 10.0 112.819 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -61.26 -17.61 54.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 174.581 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 121.63 0.729 . . . . 10.0 110.787 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -35.88 81.0 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.524 -0.735 . . . . 10.0 111.619 172.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -68.5 -38.59 81.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.166 0.986 . . . . 10.0 112.724 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.0 -41.11 91.38 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.892 0.877 . . . . 10.0 111.261 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -70.53 -38.52 74.23 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.29 -33.39 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.749 0.704 . . . . 10.0 112.409 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.68 -43.67 95.97 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.502 -0.749 . . . . 10.0 110.833 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.23 -45.72 87.2 Favored 'General case' 0 C--N 1.34 0.163 0 O-C-N 122.084 -0.385 . . . . 10.0 111.259 173.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -67.4 -27.31 66.98 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.245 1.418 . . . . 10.0 112.596 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.39 34.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.405 1.261 . . . . 10.0 114.405 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -63.45 -34.71 78.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.644 1.111 . . . . 10.0 108.877 169.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.6 tp -71.79 -34.69 69.61 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 124.932 1.293 . . . . 10.0 112.099 169.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -63.87 -38.72 92.12 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 119.427 -2.046 . . . . 10.0 111.006 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.22 -32.02 71.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.824 0.85 . . . . 10.0 112.975 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -151.46 90.34 4.02 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.457 1.503 . . . . 10.0 112.261 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -49.33 -24.28 8.29 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.677 3.584 . . . . 10.0 118.11 -169.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -130.16 29.33 4.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 116.126 1.898 . . . . 10.0 116.126 171.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 124.61 80.5 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 167.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.21 -27.42 29.1 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.811 1.674 . . . . 10.0 115.573 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.7 m -77.8 -41.11 38.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.732 1.151 . . . . 10.0 110.985 171.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.46 75.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.421 1.01 . . . . 10.0 111.88 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -35.74 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.039 0.936 . . . . 10.0 111.088 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.95 97.96 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.871 0.868 . . . . 10.0 110.924 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.59 -53.86 35.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.365 1.466 . . . . 10.0 110.921 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.0 -44.87 71.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.974 0.91 . . . . 10.0 112.74 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -64.76 -41.03 96.19 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.131 1.332 . . . . 10.0 112.681 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -66.52 -45.24 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.412 1.085 . . . . 10.0 112.245 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -71.44 -36.07 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.741 0.816 . . . . 10.0 110.077 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.13 -34.44 76.36 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.946 0.794 . . . . 10.0 112.831 176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -57.88 -45.73 85.94 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 10.0 111.128 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.47 -42.83 74.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.71 0.804 . . . . 10.0 113.106 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -57.96 -47.22 83.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.32 1.448 . . . . 10.0 112.109 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 CA--C 1.542 0.656 0 C-N-CA 123.424 0.689 . . . . 10.0 111.432 -179.012 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 111.955 0.354 . . . . 10.0 111.955 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -56.83 -15.89 5.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.917 1.287 . . . . 10.0 114.389 170.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -118.01 11.43 13.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.115 1.766 . . . . 10.0 112.965 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.9 tpp -54.46 -36.38 64.02 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.863 -1.148 . . . . 10.0 113.243 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.0 -27.92 68.49 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.35 -35.51 71.19 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.958 0.799 . . . . 10.0 111.679 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.47 -40.33 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.979 0.912 . . . . 10.0 111.211 172.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.98 -35.39 78.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.653 1.181 . . . . 10.0 112.771 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 m -63.63 -17.32 62.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.476 0.861 0 C-N-CA 124.96 1.304 . . . . 10.0 114.186 174.409 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 121.426 0.631 . . . . 10.0 110.378 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -64.92 -35.49 81.34 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.599 -0.688 . . . . 10.0 112.353 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.66 -38.14 73.77 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.844 1.258 . . . . 10.0 112.547 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.78 -42.16 88.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.79 0.723 . . . . 10.0 111.194 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.77 -37.88 70.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.166 0.987 . . . . 10.0 113.183 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.89 -34.96 79.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.97 0.908 . . . . 10.0 111.615 171.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.36 -39.61 89.24 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.609 -0.682 . . . . 10.0 111.809 170.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.17 85.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.512 0.596 . . . . 10.0 111.114 169.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -65.79 -25.12 67.1 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.362 1.465 . . . . 10.0 112.07 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -36.59 34.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.903 1.229 . . . . 10.0 114.039 169.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.13 -35.8 79.84 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.647 1.112 . . . . 10.0 108.582 169.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.28 -36.21 74.24 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 125.184 1.393 . . . . 10.0 112.435 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.29 -37.94 89.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 119.558 -1.964 . . . . 10.0 110.927 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.61 -31.78 71.87 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.68 90.11 3.99 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.54 1.536 . . . . 10.0 112.04 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -48.52 -24.77 6.82 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 124.829 3.686 . . . . 10.0 118.456 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -129.8 27.9 5.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.184 1.92 . . . . 10.0 116.184 171.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.1 124.72 78.7 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 167.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.37 -24.53 26.79 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.76 1.64 . . . . 10.0 115.493 -168.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -80.35 -39.77 27.92 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.904 1.229 . . . . 10.0 110.85 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.05 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 119.471 1.032 . . . . 10.0 111.539 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -35.17 44.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.035 0.934 . . . . 10.0 110.824 -178.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.4 98.56 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.597 0.759 . . . . 10.0 111.013 169.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.09 -54.13 34.69 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 125.446 1.498 . . . . 10.0 110.83 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.75 -45.35 74.16 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.918 -1.039 . . . . 10.0 112.67 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -65.25 -37.69 88.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.639 1.563 . . . . 10.0 112.743 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -68.31 -48.63 64.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.604 1.162 . . . . 10.0 112.19 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.602 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.6 mt -66.32 -35.48 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.624 0.77 . . . . 10.0 109.825 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.1 ttm -69.46 -34.67 74.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.915 0.78 . . . . 10.0 112.998 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.9 m -61.6 -44.31 97.23 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.794 0.838 . . . . 10.0 110.941 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.23 -45.01 82.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.251 0.62 . . . . 10.0 112.665 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -56.78 -51.39 69.1 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.966 1.306 . . . . 10.0 111.826 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 122.858 0.463 . . . . 10.0 111.38 -172.124 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 N--CA 1.47 0.535 0 N-CA-C 112.469 0.544 . . . . 10.0 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -51.92 -33.7 38.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.597 1.559 . . . . 10.0 112.831 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.309 1.044 . . . . 10.0 113.228 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 mmt -96.28 -38.7 9.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.723 1.209 . . . . 10.0 112.311 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.97 -31.97 73.2 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.322 -0.861 . . . . 10.0 113.215 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.82 -27.85 65.48 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.959 0.904 . . . . 10.0 113.169 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.83 -54.08 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.209 1.004 . . . . 10.0 109.864 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.68 -39.67 94.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -171.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.4 m -69.09 -3.48 13.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.663 1.357 . . . . 10.0 114.663 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 169.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.469 0 CA-C-O 121.469 0.652 . . . . 10.0 110.413 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -66.78 -40.04 88.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.192 0.597 . . . . 10.0 111.752 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.27 -42.06 99.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.035 0.934 . . . . 10.0 111.949 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.77 -41.24 95.11 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.117 0.967 . . . . 10.0 112.077 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -73.18 -39.3 65.72 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -67.71 -34.55 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.418 0.554 . . . . 10.0 111.815 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -37.33 85.16 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.29 -0.881 . . . . 10.0 112.058 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.51 -47.99 83.4 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.585 -0.697 . . . . 10.0 110.506 170.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.95 -26.52 67.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.516 1.527 . . . . 10.0 112.609 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -36.96 34.95 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.15 -33.78 76.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.041 1.291 . . . . 10.0 108.713 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.7 tp -70.25 -35.85 74.09 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 124.212 1.005 . . . . 10.0 111.833 169.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -64.12 -38.72 92.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 119.39 -2.069 . . . . 10.0 111.036 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -61.82 -31.73 71.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.159 0.984 . . . . 10.0 112.908 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -151.36 90.09 4.09 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.573 1.549 . . . . 10.0 112.215 170.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -49.22 -24.09 7.67 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.573 3.515 . . . . 10.0 118.445 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -130.14 27.89 5.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 116.167 1.914 . . . . 10.0 116.167 171.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.58 124.54 76.25 Favored Pre-proline 0 N--CA 1.468 0.449 0 N-CA-C 105.94 -1.874 . . . . 10.0 105.94 167.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 -27.42 25.48 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.598 1.532 . . . . 10.0 115.65 -168.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.33 -40.96 42.28 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.11 1.323 . . . . 10.0 110.788 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.6 75.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 119.442 1.019 . . . . 10.0 111.76 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 -36.54 41.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.935 0.894 . . . . 10.0 111.112 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.031 0.933 . . . . 10.0 111.246 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -66.08 -53.52 37.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.45 1.5 . . . . 10.0 110.928 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.29 -44.84 72.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 118.248 -0.882 . . . . 10.0 112.777 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -64.18 -41.01 97.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.181 1.355 . . . . 10.0 112.714 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 ttp -66.34 -46.2 77.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.172 0.989 . . . . 10.0 112.41 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.5 mt -70.52 -35.7 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.793 0.837 . . . . 10.0 110.009 178.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttm -69.14 -35.22 76.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.928 0.785 . . . . 10.0 112.868 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -58.71 -40.73 84.55 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.075 0.95 . . . . 10.0 111.464 170.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.45 -45.18 63.3 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.584 0.753 . . . . 10.0 112.666 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.25 -46.67 79.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.874 1.27 . . . . 10.0 112.653 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.545 0.766 0 C-N-CA 122.994 0.518 . . . . 10.0 111.705 -177.741 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.472 0.673 0 N-CA-C 112.011 0.375 . . . . 10.0 112.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -51.35 -21.91 2.54 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.539 1.536 . . . . 10.0 114.949 170.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.0 m -124.04 -35.69 2.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 10.0 112.766 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.14 -23.28 66.48 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.304 -0.872 . . . . 10.0 113.125 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -53.7 -31.68 48.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.85 1.056 . . . . 10.0 113.85 170.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 -29.79 68.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.536 1.134 . . . . 10.0 112.528 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mm -85.17 -42.59 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.157 1.383 . . . . 10.0 110.602 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.81 -40.93 70.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.145 1.378 . . . . 10.0 112.611 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.8 m -59.82 -8.05 1.96 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.002 1.721 . . . . 10.0 114.915 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.474 0.731 0 C-N-CA 126.2 1.8 . . . . 10.0 113.325 -178.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 CA-C-O 120.94 0.4 . . . . 10.0 111.135 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.5 -38.62 87.98 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.531 -0.731 . . . . 10.0 111.546 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.44 -37.19 80.03 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.692 0.678 . . . . 10.0 112.808 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.47 -43.05 93.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.773 0.715 . . . . 10.0 111.198 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -70.49 -37.44 74.2 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -66.63 -34.71 78.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.737 0.815 . . . . 10.0 111.54 172.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.8 -39.35 93.45 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.431 -0.793 . . . . 10.0 111.664 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -61.06 -47.01 88.34 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.688 -0.632 . . . . 10.0 111.617 170.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.42 -25.95 68.24 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.465 1.906 . . . . 10.0 111.964 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -37.24 34.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 169.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.79 -35.91 81.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.171 1.35 . . . . 10.0 108.455 168.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.1 tp -69.03 -36.77 78.12 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.145 0.978 . . . . 10.0 112.223 169.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 m -63.68 -37.95 89.28 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 119.418 -2.051 . . . . 10.0 111.144 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.98 -33.62 73.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.477 1.111 . . . . 10.0 112.886 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -152.25 92.0 3.56 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 125.462 1.505 . . . . 10.0 111.866 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -48.63 -24.16 6.32 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.896 3.731 . . . . 10.0 118.357 -169.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.8 p -130.75 27.61 4.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 116.233 1.938 . . . . 10.0 116.233 171.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.15 127.03 85.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 106.241 -1.763 . . . . 10.0 106.241 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.53 -27.88 18.3 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 N-CA-C 115.636 1.36 . . . . 10.0 115.636 -168.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -73.67 -42.47 61.28 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.264 1.393 . . . . 10.0 110.639 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.6 79.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.475 1.034 . . . . 10.0 111.986 172.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -35.64 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.845 0.858 . . . . 10.0 110.933 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.01 97.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.085 0.954 . . . . 10.0 111.032 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.78 -53.51 39.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.523 1.529 . . . . 10.0 110.918 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -54.59 -44.56 73.15 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.144 -0.932 . . . . 10.0 112.668 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -65.01 -40.46 94.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.329 1.422 . . . . 10.0 112.684 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -66.3 -45.99 78.47 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.633 1.173 . . . . 10.0 112.357 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -70.0 -35.81 65.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 123.86 0.864 . . . . 10.0 110.186 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.8 ttm -68.01 -33.78 75.24 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.463 -0.773 . . . . 10.0 112.859 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -58.96 -42.53 90.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.978 0.911 . . . . 10.0 111.397 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.59 -43.51 72.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.903 . . . . 10.0 112.83 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -61.91 -43.29 99.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.102 1.361 . . . . 10.0 113.311 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 CA--C 1.541 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 111.676 -176.536 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 111.666 0.247 . . . . 10.0 111.666 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -61.1 -39.22 89.15 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.019 0.928 . . . . 10.0 112.27 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.1 m -66.73 -41.26 88.18 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.413 0.685 . . . . 10.0 112.627 170.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.1 ttt -62.78 -31.22 72.15 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.293 -0.879 . . . . 10.0 113.0 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.9 -28.65 67.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.22 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.532 -0.73 . . . . 10.0 112.785 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -75.12 -46.4 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.341 1.056 . . . . 10.0 109.929 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.18 -29.22 67.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.773 1.229 . . . . 10.0 113.466 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -56.14 -22.4 28.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.226 1.41 . . . . 10.0 114.018 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.334 . . . . 10.0 114.603 177.259 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 121.077 0.465 . . . . 10.0 111.106 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.0 -35.82 79.67 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.339 -0.851 . . . . 10.0 112.192 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -69.32 -38.48 78.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.046 0.938 . . . . 10.0 112.326 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.497 0.719 . . . . 10.0 111.949 170.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -71.04 -37.15 72.55 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.846 0.859 . . . . 10.0 113.137 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -65.18 -36.55 84.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.604 0.762 . . . . 10.0 111.703 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.53 -38.3 90.53 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.54 -0.725 . . . . 10.0 111.817 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.92 -46.56 90.18 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.782 -0.574 . . . . 10.0 111.56 169.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.4 -23.43 66.31 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.155 1.382 . . . . 10.0 112.264 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -37.41 32.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.946 1.248 . . . . 10.0 113.977 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -62.52 -36.16 81.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.106 1.321 . . . . 10.0 108.348 168.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.92 -35.79 77.23 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.635 0.774 . . . . 10.0 112.305 169.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 m -64.94 -38.43 90.95 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 119.429 -2.044 . . . . 10.0 111.047 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.52 -33.69 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.539 1.136 . . . . 10.0 112.668 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.76 92.63 3.6 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.324 1.45 . . . . 10.0 112.305 169.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.45 -24.06 8.39 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 124.681 3.587 . . . . 10.0 118.156 -169.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.5 p -130.41 27.97 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 116.2 1.926 . . . . 10.0 116.2 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 126.61 85.6 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 106.277 -1.749 . . . . 10.0 106.277 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.66 -29.93 18.84 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 121.315 1.343 . . . . 10.0 115.582 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.14 -42.62 65.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.346 1.43 . . . . 10.0 110.886 170.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.76 78.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 119.5 1.045 . . . . 10.0 111.968 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -35.15 39.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.925 0.89 . . . . 10.0 111.125 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.38 98.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.301 1.041 . . . . 10.0 110.933 169.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -65.69 -53.57 39.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.373 1.469 . . . . 10.0 110.843 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.02 -44.98 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.061 -0.971 . . . . 10.0 112.772 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -64.57 -40.58 95.81 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.304 1.411 . . . . 10.0 112.686 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.2 ttp -65.23 -49.71 68.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.258 1.023 . . . . 10.0 111.918 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -67.37 -33.95 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.003 0.921 . . . . 10.0 110.163 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.7 ttm -70.17 -38.64 75.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.116 0.871 . . . . 10.0 112.992 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 t -57.27 -44.3 83.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.319 1.048 . . . . 10.0 110.908 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.09 -49.68 66.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 171.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -53.87 -48.58 69.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.453 1.501 . . . . 10.0 112.713 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 122.602 0.361 . . . . 10.0 111.878 -171.579 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 112.716 0.636 . . . . 10.0 112.716 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.52 -18.01 63.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.528 1.131 . . . . 10.0 113.826 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 m -136.75 20.1 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.403 1.481 . . . . 10.0 113.277 -169.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 ptp -55.45 -34.28 64.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -169.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -37.61 64.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.101 0.864 . . . . 10.0 112.13 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.87 -38.48 88.91 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.492 -0.755 . . . . 10.0 111.577 173.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.39 -48.78 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.081 0.952 . . . . 10.0 110.895 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.39 -34.62 69.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 10.0 112.975 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 m -69.88 -8.72 50.99 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m . . . . . 0 N--CA 1.478 0.962 0 C-N-CA 125.449 1.5 . . . . 10.0 113.995 -170.129 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 119.222 -0.418 . . . . 10.0 111.411 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -67.58 -15.17 63.52 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 115.328 1.603 . . . . 10.0 115.328 -175.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -59.21 154.51 40.66 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 125.346 1.458 . . . . 10.0 113.646 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.56 152.96 25.09 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 123.469 2.779 . . . . 10.0 112.847 169.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -67.8 155.69 68.91 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.033 2.489 . . . . 10.0 112.379 175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p -140.41 157.95 67.33 Favored Pre-proline 0 N--CA 1.476 0.861 0 C-N-CA 125.186 1.395 . . . . 10.0 112.017 177.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -53.27 141.44 59.74 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 124.671 3.58 . . . . 10.0 114.087 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 tp -144.85 14.22 1.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.797 1.239 . . . . 10.0 112.946 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.3 tp -64.55 -20.94 66.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.538 1.535 . . . . 10.0 114.741 -171.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.43 28.75 1.81 Allowed 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.33 1.452 . . . . 10.0 112.713 -174.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -57.78 -33.22 68.3 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.612 1.338 . . . . 10.0 114.612 -174.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -158.32 136.85 11.05 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.888 1.675 . . . . 10.0 110.253 171.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -159.65 -40.9 0.05 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.123 0.969 . . . . 10.0 112.551 170.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -126.17 -8.97 6.47 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 -172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.1 m -58.61 -22.66 56.99 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.448 1.277 . . . . 10.0 114.448 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.17 -32.95 29.62 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.94 1.257 . . . . 10.0 114.235 169.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -56.09 -26.65 50.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.153 1.781 . . . . 10.0 114.27 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.53 -20.82 6.44 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.704 1.202 . . . . 10.0 113.827 177.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.0 m -66.86 -34.56 78.07 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.243 -0.911 . . . . 10.0 111.059 169.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -27.83 49.9 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.219 1.866 . . . . 10.0 115.339 176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -107.56 -35.44 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.296 1.439 . . . . 10.0 112.632 175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.28 92.06 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.477 1.037 . . . . 10.0 113.593 177.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -55.44 -26.28 41.13 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.084 1.354 . . . . 10.0 114.605 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.75 -8.58 59.71 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.371 1.249 . . . . 10.0 114.371 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -104.85 19.96 19.59 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.893 1.277 . . . . 10.0 110.297 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -144.09 18.16 1.76 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.355 2.262 . . . . 10.0 111.845 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -52.19 -26.4 11.46 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 117.224 2.305 . . . . 10.0 117.224 -169.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.6 -3.49 90.49 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 123.999 0.809 . . . . 10.0 114.804 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.5 t -128.93 -13.54 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.888 1.675 . . . . 10.0 112.451 173.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -43.95 -35.32 1.98 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.998 1.719 . . . . 10.0 113.143 172.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -52.93 -53.18 53.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.834 2.053 . . . . 10.0 115.27 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.0 -31.55 39.7 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.884 1.274 . . . . 10.0 111.007 178.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -62.08 -38.87 90.47 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.536 -0.728 . . . . 10.0 111.877 174.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.75 -43.74 95.56 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.95 1.3 . . . . 10.0 111.729 172.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -60.26 -39.85 88.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.165 0.586 . . . . 10.0 112.21 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.6 tp -73.13 -38.89 66.13 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.705 0.802 . . . . 10.0 113.038 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -65.91 -34.57 78.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.604 0.638 . . . . 10.0 111.404 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -64.72 -38.42 90.92 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.46 -0.775 . . . . 10.0 111.924 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.55 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.92 88.08 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.395 -0.816 . . . . 10.0 111.164 169.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -65.18 -25.03 67.55 Favored 'General case' 0 C--O 1.221 -0.405 0 C-N-CA 125.72 1.608 . . . . 10.0 112.463 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -37.6 32.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 114.571 1.323 . . . . 10.0 114.571 169.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -63.31 -32.98 74.54 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.757 1.162 . . . . 10.0 108.581 168.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.5 tp -70.64 -38.45 73.86 Favored 'General case' 0 C--O 1.211 -0.958 0 C-N-CA 124.635 1.174 . . . . 10.0 111.984 169.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.1 m -61.77 -37.6 84.89 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 119.812 -1.805 . . . . 10.0 111.182 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -61.23 -31.53 71.31 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.47 0.915 . . . . 10.0 113.47 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -152.71 86.8 4.19 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.567 1.547 . . . . 10.0 111.576 172.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -45.42 -27.64 3.43 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 124.769 3.646 . . . . 10.0 119.231 -169.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.7 p -127.65 29.67 5.45 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 115.509 1.67 . . . . 10.0 115.509 172.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.18 124.1 78.84 Favored Pre-proline 0 N--CA 1.47 0.551 0 N-CA-C 105.252 -2.129 . . . . 10.0 105.252 167.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.25 -26.32 25.41 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.572 1.515 . . . . 10.0 115.664 -168.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.59 -40.88 40.69 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.042 1.292 . . . . 10.0 110.8 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.9 77.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.541 1.064 . . . . 10.0 111.803 170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 -35.17 40.88 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 123.905 0.882 . . . . 10.0 110.927 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.37 98.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.842 0.857 . . . . 10.0 111.003 169.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.14 -53.6 42.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.553 1.541 . . . . 10.0 110.859 178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -55.38 -45.31 76.59 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-O 118.027 -0.987 . . . . 10.0 112.637 171.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -65.97 -37.23 85.44 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 120.481 1.491 . . . . 10.0 112.863 177.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 62.8 ttp -68.2 -49.0 63.7 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.459 1.104 . . . . 10.0 112.27 176.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.55 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -66.23 -34.77 72.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.559 0.744 . . . . 10.0 109.699 176.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.9 ttm -68.53 -35.3 77.27 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.86 0.754 . . . . 10.0 112.963 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -60.53 -42.77 97.17 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.645 0.778 . . . . 10.0 111.159 171.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.05 -42.15 73.25 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.289 0.848 . . . . 10.0 113.289 173.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -56.12 -52.62 63.68 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 125.548 1.539 . . . . 10.0 111.3 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -69.12 -39.7 78.76 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 122.507 0.323 . . . . 10.0 111.406 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.5 tp -64.43 -46.7 82.05 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.052 0.941 . . . . 10.0 112.269 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.24 -38.57 90.77 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 121.969 -0.457 . . . . 10.0 112.125 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -63.04 -40.94 99.23 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.45 -0.781 . . . . 10.0 112.503 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -62.25 -39.17 91.98 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.062 0.846 . . . . 10.0 113.2 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.17 -36.16 77.08 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -65.23 -43.07 92.62 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.338 1.055 . . . . 10.0 111.696 172.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -61.44 -38.56 87.6 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.121 -0.987 . . . . 10.0 112.504 171.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.4 m -64.33 -37.64 88.22 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.584 0.754 . . . . 10.0 112.34 173.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.15 87.29 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.343 0.657 . . . . 10.0 112.269 173.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.5 t -61.54 -41.53 90.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.119 1.368 . . . . 10.0 111.716 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -61.64 -18.87 61.25 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.353 1.461 . . . . 10.0 113.785 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -117.95 7.1 12.25 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.723 1.609 . . . . 10.0 113.39 -174.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.02 -31.32 65.01 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.64 1.348 . . . . 10.0 114.64 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -65.77 -31.67 72.77 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.476 1.11 . . . . 10.0 113.223 174.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -82.32 -42.61 18.54 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.338 1.055 . . . . 10.0 111.307 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.35 -32.15 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.574 1.149 . . . . 10.0 111.926 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -61.41 -14.69 30.07 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.473 1.286 . . . . 10.0 114.473 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -126.41 -20.22 4.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.96 1.704 . . . . 10.0 113.452 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.1 m -134.33 49.14 2.27 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 127.353 2.261 . . . . 10.0 110.648 -175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 7.7 tp -46.8 124.59 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 126.79 2.036 . . . . 10.0 113.3 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 65.6 tp -154.5 118.8 4.77 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.542 1.537 . . . . 10.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -61.74 133.88 56.07 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.545 0.738 . . . . 10.0 111.882 173.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -90.47 -3.8 57.39 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.678 0.992 . . . . 10.0 113.678 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -60.46 128.51 37.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.313 1.045 . . . . 10.0 111.288 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 55.1 p-80 -156.9 175.23 14.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.403 1.081 . . . . 10.0 112.744 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -136.24 -50.1 0.68 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.455 1.502 . . . . 10.0 110.24 170.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -71.19 141.56 50.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.784 0.834 . . . . 10.0 109.641 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.742 1.217 . . . . 10.0 111.678 -174.436 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.486 1.336 0 N-CA-C 110.411 -0.218 . . . . 10.0 110.411 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -153.27 170.38 20.74 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.458 1.503 . . . . 10.0 111.96 -178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -147.57 156.96 45.3 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 124.955 1.302 . . . . 10.0 112.279 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -75.27 160.83 38.84 Favored 'Trans proline' 0 CA--C 1.547 1.133 0 C-N-CA 123.263 2.642 . . . . 10.0 111.703 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.58 151.69 52.97 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.336 2.69 . . . . 10.0 112.696 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p -135.58 156.93 77.28 Favored Pre-proline 0 N--CA 1.475 0.794 0 C-N-CA 125.011 1.324 . . . . 10.0 112.176 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.85 156.35 23.85 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 124.359 3.373 . . . . 10.0 114.063 176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.83 -3.91 3.22 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.881 1.437 . . . . 10.0 114.881 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.0 tp -83.79 63.94 7.76 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.132 1.373 . . . . 10.0 111.273 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.24 149.67 23.62 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.424 1.09 . . . . 10.0 112.556 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -156.24 177.02 11.92 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.821 1.648 . . . . 10.0 110.173 -174.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -61.15 13.44 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.613 1.965 . . . . 10.0 116.085 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -55.71 -27.36 49.94 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.073 1.749 . . . . 10.0 113.448 171.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -61.93 -14.94 39.28 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 115.035 1.495 . . . . 10.0 115.035 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.7 m -71.96 -6.02 39.04 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.92 1.452 . . . . 10.0 114.92 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.82 -34.36 0.06 OUTLIER Glycine 0 N--CA 1.474 1.175 0 N-CA-C 116.41 1.324 . . . . 10.0 116.41 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -62.39 -33.21 74.32 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.346 1.073 . . . . 10.0 112.176 175.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tt -83.57 105.05 14.19 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.208 1.403 . . . . 10.0 108.251 169.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.8 t -165.46 -164.42 0.75 Allowed 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.394 1.878 . . . . 10.0 109.129 -173.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -43.41 -37.79 3.64 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 125.516 1.532 . . . . 10.0 115.151 172.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -42.7 -49.36 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.193 1.797 . . . . 10.0 112.308 170.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -68.91 -12.95 65.75 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 125.823 1.678 . . . . 10.0 115.791 -172.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.78 7.54 6.79 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.76 1.624 . . . . 10.0 114.687 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -141.21 -44.02 0.38 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.772 1.397 . . . . 10.0 114.772 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -80.44 -35.46 35.0 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.14 0.427 . . . . 10.0 110.91 173.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -42.6 -46.98 5.14 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.885 2.074 . . . . 10.0 114.171 171.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.05 -21.94 65.33 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.802 1.241 . . . . 10.0 113.63 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -92.17 -14.19 56.39 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.284 1.421 . . . . 10.0 114.436 176.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.79 -15.58 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.006 1.403 . . . . 10.0 112.751 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -57.32 -19.97 25.66 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 120.823 -1.173 . . . . 10.0 112.474 169.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -54.2 -34.49 60.71 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.247 1.819 . . . . 10.0 113.055 169.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.39 -42.11 99.18 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.188 1.395 . . . . 10.0 111.334 176.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.21 -37.02 83.74 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.472 -0.767 . . . . 10.0 111.71 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.79 -42.04 86.65 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.487 1.115 . . . . 10.0 111.968 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.39 -40.21 85.84 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.672 0.789 . . . . 10.0 111.816 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 31.7 tp -71.26 -41.64 69.82 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 112.801 0.667 . . . . 10.0 112.801 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -64.36 -32.53 74.17 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.359 0.527 . . . . 10.0 111.695 173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -67.83 -40.35 83.76 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.387 -0.821 . . . . 10.0 112.124 169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.512 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -57.64 -45.74 85.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 118.67 0.668 . . . . 10.0 111.01 171.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -29.0 70.11 Favored 'General case' 0 C--O 1.219 -0.544 0 C-N-CA 125.819 1.648 . . . . 10.0 111.977 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.13 -34.11 38.03 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 120.028 1.286 . . . . 10.0 114.416 169.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -62.36 -35.04 77.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.938 1.245 . . . . 10.0 108.167 168.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.83 -36.02 72.71 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 125.469 1.507 . . . . 10.0 112.737 169.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.8 m -63.17 -38.05 89.64 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 119.503 -1.998 . . . . 10.0 110.801 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -60.88 -32.9 72.33 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.124 0.787 . . . . 10.0 113.124 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -151.53 90.63 3.96 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 125.465 1.506 . . . . 10.0 111.932 170.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -48.6 -25.86 8.41 Favored 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 124.774 3.649 . . . . 10.0 118.088 -169.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 67.8 p -129.24 29.26 5.16 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 116.032 1.864 . . . . 10.0 116.032 171.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.17 124.8 82.04 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 105.541 -2.022 . . . . 10.0 105.541 167.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.71 -26.4 27.85 Favored 'Trans proline' 0 N--CA 1.451 -1.018 0 C-N-CA 121.711 1.607 . . . . 10.0 115.546 -168.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.5 m -78.67 -40.19 34.67 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.987 1.267 . . . . 10.0 110.988 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.89 -42.01 79.09 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 119.498 1.044 . . . . 10.0 111.622 169.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.09 -35.66 42.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 123.925 0.89 . . . . 10.0 110.945 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.94 97.11 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.961 0.904 . . . . 10.0 111.21 169.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.14 -54.52 28.5 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.301 1.44 . . . . 10.0 110.794 178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -53.83 -44.22 70.08 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 118.182 -0.913 . . . . 10.0 112.874 171.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -65.19 -39.7 93.2 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.356 1.435 . . . . 10.0 112.735 176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 60.1 ttp -66.97 -46.21 75.34 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.466 1.106 . . . . 10.0 112.342 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -70.56 -36.07 64.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 C-N-CA 123.93 0.892 . . . . 10.0 109.886 177.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -69.91 -32.72 71.18 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.409 -0.807 . . . . 10.0 112.814 175.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 m -59.65 -35.95 75.41 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.971 0.908 . . . . 10.0 111.826 169.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -77.72 -41.81 36.53 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.023 0.929 . . . . 10.0 112.699 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -64.23 -43.45 94.91 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.892 1.277 . . . . 10.0 113.45 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -66.22 -36.95 84.38 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.469 0.707 . . . . 10.0 111.259 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 63.6 tp -63.16 -46.14 88.57 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.528 1.131 . . . . 10.0 111.727 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.74 -31.64 72.95 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.372 0.879 . . . . 10.0 113.372 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.33 -35.12 67.25 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 120.068 1.304 . . . . 10.0 113.102 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -61.57 -38.12 86.36 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.54 1.136 . . . . 10.0 113.347 172.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -78.98 -38.06 37.77 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.268 0.627 . . . . 10.0 112.54 174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -59.99 -34.97 74.04 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.956 1.303 . . . . 10.0 112.121 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.0 t -54.74 -41.61 70.63 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.288 1.035 . . . . 10.0 112.846 172.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.5 t -68.34 -48.29 65.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.648 0.779 . . . . 10.0 111.36 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.25 -29.41 70.19 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.89 -36.55 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.839 1.256 . . . . 10.0 111.413 171.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -74.84 -27.71 60.38 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.036 0.934 . . . . 10.0 112.82 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.4 m -58.77 -31.42 68.36 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.027 0.931 . . . . 10.0 113.381 172.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 13.7 tpt -60.91 -26.05 67.18 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 113.113 0.783 . . . . 10.0 113.113 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -28.55 69.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.892 0.877 . . . . 10.0 113.078 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.65 -38.69 58.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.522 0.729 . . . . 10.0 112.08 171.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.4 mm -64.04 -36.26 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.524 1.129 . . . . 10.0 111.786 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -57.15 -21.81 35.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.644 1.178 . . . . 10.0 113.808 175.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.1 t -58.38 -21.22 49.44 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.349 1.06 . . . . 10.0 113.613 176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.6 p -68.9 -20.0 64.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.778 1.399 . . . . 10.0 114.778 174.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.6 mp -74.86 139.56 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.159 0.984 . . . . 10.0 109.393 176.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.72 37.76 0.18 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.94 1.696 . . . . 10.0 113.665 -176.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.93 1.58 12.44 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.413 -1.429 . . . . 10.0 114.568 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -60.41 167.44 2.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.924 1.69 . . . . 10.0 113.926 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 41.1 t60 -68.44 23.75 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 127.409 2.284 . . . . 10.0 115.832 -173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -71.03 7.59 1.16 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.598 1.559 . . . . 10.0 112.659 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -137.3 142.67 41.9 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.895 2.478 . . . . 10.0 109.249 -170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -136.49 165.04 26.75 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.809 1.244 . . . . 10.0 111.826 -172.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.075 1.75 . . . . 10.0 111.793 -174.186 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 ttm . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.047 -0.353 . . . . 10.0 110.047 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 p -71.04 -37.32 72.57 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.364 1.066 . . . . 10.0 113.45 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -156.31 157.23 31.03 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 126.108 1.763 . . . . 10.0 111.0 172.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.21 165.23 32.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 122.838 2.359 . . . . 10.0 111.909 173.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -48.59 157.18 1.54 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 124.654 3.569 . . . . 10.0 115.232 170.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.1 p -138.02 159.74 67.24 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 125.705 1.602 . . . . 10.0 112.009 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.18 153.69 20.74 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 124.955 3.77 . . . . 10.0 114.55 178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.3 mt -139.99 161.92 36.45 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.459 1.504 . . . . 10.0 112.194 -176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 9' ' ' LEU . 1.5 pt? -98.16 21.21 11.17 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.784 2.034 . . . . 10.0 113.69 178.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.34 176.28 0.36 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.025 1.73 . . . . 10.0 114.072 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -49.23 -39.44 30.06 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.466 1.506 . . . . 10.0 114.895 -174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -67.83 -6.82 23.35 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.16 1.541 . . . . 10.0 115.16 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 tp10 -121.11 -38.24 2.84 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.079 1.752 . . . . 10.0 111.472 176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.4 t90 -57.32 -30.09 64.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.145 1.378 . . . . 10.0 113.207 172.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 94.8 p -54.88 -23.47 18.79 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.94 1.296 . . . . 10.0 114.357 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.44 -28.62 6.67 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.146 1.831 . . . . 10.0 115.343 173.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -54.08 -21.7 9.11 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.238 1.815 . . . . 10.0 114.361 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -129.02 -41.24 1.45 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.065 1.746 . . . . 10.0 111.863 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.8 m -54.16 -19.74 5.57 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.956 1.702 . . . . 10.0 114.556 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.3 -33.76 16.66 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.612 1.101 . . . . 10.0 114.519 169.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -64.04 -28.4 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.031 0.932 . . . . 10.0 113.222 175.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.33 -35.68 11.83 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.026 1.298 . . . . 10.0 112.878 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -55.4 -21.84 17.37 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.362 1.065 . . . . 10.0 113.386 173.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.58 -26.88 58.29 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.252 1.575 . . . . 10.0 115.252 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -90.34 -18.62 25.22 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.772 1.169 . . . . 10.0 111.684 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -67.98 2.93 1.76 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.229 1.812 . . . . 10.0 113.945 169.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -53.38 -27.77 25.74 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.5 1.52 . . . . 10.0 114.868 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.58 -13.9 66.34 Favored Glycine 0 CA--C 1.542 1.772 0 C-N-CA 124.842 1.21 . . . . 10.0 115.303 172.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.04 -13.45 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 126.862 2.065 . . . . 10.0 112.224 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.91 -24.0 5.73 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.167 1.387 . . . . 10.0 112.788 170.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -55.01 -39.91 69.58 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.304 1.842 . . . . 10.0 114.179 169.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 -36.66 35.88 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.48 1.512 . . . . 10.0 110.509 175.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -62.05 -36.08 80.56 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.547 -0.72 . . . . 10.0 111.916 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -64.04 -41.97 97.21 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.379 1.472 . . . . 10.0 111.934 173.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -60.98 -41.07 95.71 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.682 0.793 . . . . 10.0 111.747 173.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.5 tp -72.35 -37.47 68.83 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -67.49 -33.16 74.54 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.516 0.727 . . . . 10.0 111.91 171.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -63.98 -42.63 97.17 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 118.919 0.782 . . . . 10.0 110.522 169.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.449 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.22 85.65 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 122.103 -0.373 . . . . 10.0 111.398 172.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -67.63 -25.89 65.96 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 124.99 1.316 . . . . 10.0 112.501 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.18 -36.57 34.84 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.248 1.203 . . . . 10.0 114.248 169.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 m-20 -63.7 -33.5 75.78 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.497 1.044 . . . . 10.0 108.511 169.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 tp -71.73 -36.12 70.37 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 125.058 1.343 . . . . 10.0 111.875 169.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 m -62.97 -38.23 90.29 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 119.512 -1.993 . . . . 10.0 111.032 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -61.31 -32.24 72.1 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.742 0.817 . . . . 10.0 113.156 174.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -151.23 89.89 4.16 Favored Pre-proline 0 CA--C 1.549 0.913 0 C-N-CA 125.474 1.51 . . . . 10.0 111.984 170.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -48.79 -24.37 6.9 Favored 'Trans proline' 0 C--N 1.355 0.895 0 C-N-CA 124.693 3.595 . . . . 10.0 118.379 -169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.2 p -129.96 28.2 5.09 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 116.109 1.892 . . . . 10.0 116.109 171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.51 123.3 70.08 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 105.434 -2.061 . . . . 10.0 105.434 167.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.54 -26.53 28.52 Favored 'Trans proline' 0 N--CA 1.45 -1.066 0 C-N-CA 121.674 1.582 . . . . 10.0 115.17 -168.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -77.51 -40.9 41.25 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.857 1.208 . . . . 10.0 110.917 171.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.09 -41.75 79.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 119.653 1.115 . . . . 10.0 111.875 170.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -36.01 40.58 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.021 0.928 . . . . 10.0 110.791 -177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.67 97.5 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.788 0.835 . . . . 10.0 110.791 169.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.23 -53.92 37.25 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 125.512 1.525 . . . . 10.0 111.041 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -55.94 -44.32 78.25 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 117.892 -1.051 . . . . 10.0 112.491 171.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.03 -39.81 93.91 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.645 1.566 . . . . 10.0 112.835 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.53 -46.78 71.8 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.824 1.25 . . . . 10.0 112.296 178.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.449 HD12 ' HB2' ' A' ' 39' ' ' ALA . 94.6 mt -68.64 -35.36 69.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 123.87 0.868 . . . . 10.0 110.059 175.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 38.1 ttm -69.15 -33.84 74.06 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 118.805 0.729 . . . . 10.0 112.761 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -58.57 -47.46 84.2 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.548 0.739 . . . . 10.0 110.603 170.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.24 -42.85 92.96 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.451 0.908 . . . . 10.0 113.451 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -59.75 -49.35 78.07 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 124.505 1.122 . . . . 10.0 111.911 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -68.69 -38.31 80.21 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.115 0.566 . . . . 10.0 111.29 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.32 -48.77 79.8 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.436 1.094 . . . . 10.0 111.134 172.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -65.75 -36.75 84.45 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.567 0.58 . . . . 10.0 112.567 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -57.97 -44.56 87.15 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.207 1.003 . . . . 10.0 111.938 172.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -64.86 -39.36 93.43 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.096 0.776 . . . . 10.0 113.096 170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.59 71.58 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.083 0.771 . . . . 10.0 113.083 178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -63.97 -43.55 95.43 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.93 0.892 . . . . 10.0 111.649 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 32.8 m -64.05 -38.13 89.94 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.209 0.604 . . . . 10.0 112.07 173.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.6 m -66.79 -40.88 88.32 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.29 0.636 . . . . 10.0 112.398 174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.65 -35.93 79.35 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.106 -0.996 . . . . 10.0 112.382 174.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 17.4 t -70.08 -48.87 59.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.088 1.355 . . . . 10.0 111.61 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.5 pttp -68.04 -32.32 72.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.486 1.039 . . . . 10.0 113.365 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -107.4 11.49 28.92 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.999 1.32 . . . . 10.0 113.525 -171.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -52.49 -34.78 50.93 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.204 1.365 . . . . 10.0 113.911 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -59.91 -12.46 7.78 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.041 2.136 . . . . 10.0 115.487 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -129.08 17.08 6.15 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.53 2.332 . . . . 10.0 111.583 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.8 mt -122.71 -41.7 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.554 1.942 . . . . 10.0 109.667 173.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.59 -24.81 64.08 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 121.241 -0.912 . . . . 10.0 112.7 171.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 81.8 p -80.33 -9.82 59.74 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.236 1.814 . . . . 10.0 114.934 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -140.78 -8.71 1.06 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.903 1.816 . . . . 10.0 115.903 -169.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.5 tp -53.76 141.52 8.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 125.285 1.434 . . . . 10.0 111.906 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -62.29 162.31 10.05 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.617 0.969 . . . . 10.0 113.617 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -104.97 22.61 14.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.952 1.301 . . . . 10.0 112.694 -171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -145.66 170.14 17.06 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.915 1.686 . . . . 10.0 111.423 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -110.88 37.49 2.78 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.388 1.475 . . . . 10.0 112.334 -170.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -61.28 -32.51 72.34 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.834 1.253 . . . . 10.0 113.903 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -85.67 149.74 25.1 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.263 1.025 . . . . 10.0 112.507 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -142.7 161.23 38.62 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.985 1.714 . . . . 10.0 110.833 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 126.66 1.984 . . . . 10.0 110.942 179.008 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.161 0.029 . . . . 10.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 p -76.35 -30.63 57.69 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -74.32 154.66 88.09 Favored Pre-proline 0 CA--C 1.551 1.009 0 C-N-CA 124.679 1.192 . . . . 10.0 113.863 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.97 156.93 21.94 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.868 3.045 . . . . 10.0 112.388 168.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -80.05 -21.78 7.78 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 122.935 2.423 . . . . 10.0 115.774 -169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 p -75.9 150.82 83.99 Favored Pre-proline 0 N--CA 1.479 0.985 0 CA-C-N 119.719 1.145 . . . . 10.0 113.249 -173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.78 -38.48 91.87 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 124.29 3.327 . . . . 10.0 114.347 -176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.4 tp -60.8 -21.08 62.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.74 1.616 . . . . 10.0 113.514 177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.7 mt -125.11 11.73 8.24 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.449 1.9 . . . . 10.0 112.44 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -137.44 16.22 2.95 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.307 1.843 . . . . 10.0 112.681 -177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.99 -18.79 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 115.597 1.703 . . . . 10.0 115.597 -172.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -58.59 -31.25 67.86 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.361 -0.837 . . . . 10.0 113.153 170.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -71.98 -26.2 62.15 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.108 0.963 . . . . 10.0 112.624 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 43.9 t-105 -62.79 -25.16 68.1 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.126 -0.984 . . . . 10.0 113.201 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.5 m -56.03 -29.59 60.64 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.347 1.059 . . . . 10.0 113.67 170.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -43.58 57.94 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.754 0.693 . . . . 10.0 112.616 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -66.35 -39.2 89.04 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.752 0.821 . . . . 10.0 112.387 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.28 -39.49 93.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.399 1.079 . . . . 10.0 112.406 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.1 m -65.04 -40.1 94.29 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.75 -0.594 . . . . 10.0 111.586 171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.68 -51.78 48.72 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.816 1.198 . . . . 10.0 113.844 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.0 tt -71.08 -21.04 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 117.953 0.877 . . . . 10.0 112.546 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -49.51 -41.86 33.97 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.609 1.576 . . . . 10.0 114.667 179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -71.16 -23.68 62.11 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.534 1.167 . . . . 10.0 114.022 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -81.64 -37.27 27.78 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.524 0.73 . . . . 10.0 112.12 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.19 -36.08 79.01 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.718 0.636 . . . . 10.0 112.718 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -47.7 -42.42 24.94 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 127.241 2.216 . . . . 10.0 113.258 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -66.42 -7.1 17.19 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 114.139 1.162 . . . . 10.0 114.139 177.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -111.59 -1.24 27.61 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 126.788 2.137 . . . . 10.0 114.456 171.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 m -121.65 -0.19 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 CA-C-N 119.151 1.475 . . . . 10.0 114.447 174.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -53.8 -26.96 26.42 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.419 1.087 . . . . 10.0 111.883 168.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -54.96 -37.57 66.66 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.215 2.206 . . . . 10.0 114.113 170.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -43.0 96.35 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.291 1.036 . . . . 10.0 110.922 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -61.05 -37.21 81.81 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.673 -0.642 . . . . 10.0 111.7 172.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -69.36 -37.54 77.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.76 . . . . 10.0 112.899 174.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.48 -41.41 94.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.859 0.864 . . . . 10.0 111.475 170.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.7 tp -69.96 -37.95 75.97 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -64.58 -35.55 81.36 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.52 0.6 . . . . 10.0 111.803 171.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -66.26 -38.22 87.33 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.412 -0.805 . . . . 10.0 111.985 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.562 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.8 88.49 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.346 -0.846 . . . . 10.0 111.125 169.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -65.02 -25.68 67.95 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 125.466 1.506 . . . . 10.0 112.364 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.11 -37.22 34.08 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.544 1.313 . . . . 10.0 114.544 169.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -62.86 -34.46 77.42 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.8 1.182 . . . . 10.0 108.579 168.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.8 tp -70.75 -35.66 72.75 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 124.699 1.199 . . . . 10.0 112.241 169.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.6 m -64.29 -38.28 90.48 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 119.38 -2.075 . . . . 10.0 110.999 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -61.08 -32.93 72.58 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.877 0.871 . . . . 10.0 113.015 174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -150.86 90.28 4.21 Favored Pre-proline 0 CA--C 1.549 0.905 0 C-N-CA 125.513 1.525 . . . . 10.0 112.308 170.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -48.94 -24.18 6.96 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 124.742 3.628 . . . . 10.0 118.33 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.7 p -130.17 27.89 5.06 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 116.221 1.934 . . . . 10.0 116.221 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.69 124.9 78.32 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 106.006 -1.85 . . . . 10.0 106.006 167.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.87 -27.83 25.44 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 121.515 1.477 . . . . 10.0 115.537 -168.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -75.2 -42.46 55.61 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 120.141 1.337 . . . . 10.0 110.975 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.95 -42.09 75.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 119.555 1.071 . . . . 10.0 111.793 171.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -36.39 40.59 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.885 0.874 . . . . 10.0 110.869 -177.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.53 96.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.067 0.947 . . . . 10.0 111.165 169.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.77 -53.78 35.88 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 125.606 1.562 . . . . 10.0 110.893 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.39 -44.99 72.8 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 118.11 -0.948 . . . . 10.0 112.678 171.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -64.93 -39.31 93.31 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 120.274 1.397 . . . . 10.0 112.739 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 67.2 ttp -68.08 -46.06 72.08 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.548 1.139 . . . . 10.0 112.65 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.562 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -68.24 -35.71 72.25 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 C-N-CA 123.922 0.889 . . . . 10.0 109.796 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.7 ttm -68.28 -34.89 76.99 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 121.457 -0.777 . . . . 10.0 113.054 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.7 m -61.15 -33.76 73.93 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.18 0.992 . . . . 10.0 112.089 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -78.16 -42.37 31.85 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.635 0.774 . . . . 10.0 112.679 171.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -57.36 -47.43 81.65 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.451 1.5 . . . . 10.0 112.39 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.68 -30.45 70.74 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.06 -47.47 84.56 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.542 1.137 . . . . 10.0 112.212 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -79.28 -24.36 42.96 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.781 1.233 . . . . 10.0 112.518 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.9 tpt85 -61.8 -34.79 76.54 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.63 0.974 . . . . 10.0 113.63 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -63.42 -34.79 78.52 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.136 0.974 . . . . 10.0 113.097 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.43 -38.13 50.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.045 0.538 . . . . 10.0 112.334 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -57.27 -33.92 68.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.369 1.468 . . . . 10.0 113.015 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 58.6 m -52.94 -32.61 46.71 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.872 1.064 . . . . 10.0 113.872 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -62.54 -40.11 95.75 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.941 0.896 . . . . 10.0 112.621 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -38.54 26.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.838 0.855 . . . . 10.0 112.714 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.9 t -62.95 -36.99 78.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.169 1.388 . . . . 10.0 112.189 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -54.51 -41.42 69.62 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 120.025 1.284 . . . . 10.0 112.671 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.5 m -72.97 -9.53 58.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.015 1.326 . . . . 10.0 114.561 177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 16.4 tpt -112.47 -39.2 4.44 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.906 1.282 . . . . 10.0 112.312 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -58.01 -33.78 69.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.986 1.314 . . . . 10.0 112.621 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -58.29 -24.26 58.96 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.722 1.209 . . . . 10.0 113.887 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.7 mm -98.99 -45.15 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.29 1.436 . . . . 10.0 110.805 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.13 -27.77 67.33 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.041 1.337 . . . . 10.0 113.548 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.2 t -51.64 -26.88 9.88 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.432 1.493 . . . . 10.0 113.828 170.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -63.36 -16.51 60.66 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.994 1.317 . . . . 10.0 114.141 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -132.7 -12.3 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.165 1.386 . . . . 10.0 113.249 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 65.24 0.81 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.612 1.565 . . . . 10.0 111.339 170.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -150.48 168.02 25.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.633 1.973 . . . . 10.0 111.335 177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -149.51 174.42 12.52 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.559 1.144 . . . . 10.0 111.774 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -144.1 147.69 34.1 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.723 1.609 . . . . 10.0 110.673 -175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.42 137.13 46.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.872 0.869 . . . . 10.0 112.613 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -143.55 167.7 21.62 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.756 1.622 . . . . 10.0 111.355 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.95 156.09 42.29 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.0 1.32 . . . . 10.0 112.27 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.855 1.662 . . . . 10.0 111.307 -179.143 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 120.412 0.149 . . . . 10.0 110.67 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -71.47 -6.1 37.89 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 114.65 1.352 . . . . 10.0 114.65 175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -146.36 161.38 38.96 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 127.139 2.176 . . . . 10.0 110.854 -176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -69.15 160.99 47.68 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 122.439 2.092 . . . . 10.0 111.48 172.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.43 -19.24 37.96 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.252 2.634 . . . . 10.0 113.68 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.6 p -67.53 156.96 87.46 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 124.352 1.061 . . . . 10.0 113.391 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.35 -29.32 83.76 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 124.528 3.485 . . . . 10.0 114.407 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.4 tp -154.95 161.77 41.3 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.746 2.018 . . . . 10.0 109.809 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.52 14.35 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.441 1.896 . . . . 10.0 114.594 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.78 -21.88 12.51 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.402 1.481 . . . . 10.0 114.112 174.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.02 -15.54 33.29 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.698 1.599 . . . . 10.0 114.243 169.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -134.7 -22.72 1.64 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.773 1.629 . . . . 10.0 114.258 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -54.23 -28.31 40.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.125 1.37 . . . . 10.0 114.687 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 67.7 p-90 -53.02 -30.17 33.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.904 1.282 . . . . 10.0 113.707 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -66.14 -10.37 40.37 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.849 1.66 . . . . 10.0 113.77 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -118.71 -43.12 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.228 1.394 . . . . 10.0 112.5 170.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -59.68 -54.28 48.25 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.097 0.948 . . . . 10.0 113.184 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.69 -30.06 68.64 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.843 -0.536 . . . . 10.0 112.105 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.9 m -63.12 -39.6 95.15 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.842 0.857 . . . . 10.0 111.665 171.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.05 -45.22 96.0 Favored Glycine 0 CA--C 1.534 1.274 0 C-N-CA 124.606 1.098 . . . . 10.0 113.13 173.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.7 mm -61.0 -44.56 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 123.578 0.751 . . . . 10.0 111.336 173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.47 -47.09 92.84 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 124.801 1.191 . . . . 10.0 113.46 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -57.75 -32.45 67.48 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.016 1.326 . . . . 10.0 113.15 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.12 -11.33 60.7 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.416 1.635 . . . . 10.0 115.416 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -87.05 8.3 24.07 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.463 0.705 . . . . 10.0 112.851 169.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -139.73 -43.61 0.44 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.744 1.618 . . . . 10.0 113.45 -169.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.61 -32.7 65.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.01 1.324 . . . . 10.0 113.484 -176.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -71.33 -6.74 62.21 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 125.232 1.396 . . . . 10.0 115.423 176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -19.84 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 CA-C-N 118.864 1.332 . . . . 10.0 113.989 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -56.84 -21.64 30.64 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.383 1.073 . . . . 10.0 111.564 168.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -48.7 -40.75 29.46 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.964 1.706 . . . . 10.0 113.774 169.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.15 -43.43 95.22 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.707 0.803 . . . . 10.0 110.72 178.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -65.48 -33.96 77.15 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.36 -0.838 . . . . 10.0 112.295 173.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -66.13 -39.33 89.79 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.842 0.857 . . . . 10.0 112.505 172.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.5 -40.7 87.91 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.916 0.886 . . . . 10.0 111.355 169.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.33 -38.05 71.7 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.66 0.784 . . . . 10.0 112.879 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.94 -32.93 74.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.547 0.612 . . . . 10.0 112.188 170.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.98 -36.97 83.37 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 121.206 -0.934 . . . . 10.0 111.837 169.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.584 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.46 -47.13 87.46 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 121.332 -0.855 . . . . 10.0 110.811 169.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -64.92 -24.97 67.69 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 125.436 1.494 . . . . 10.0 112.31 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.39 -37.33 32.44 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.671 1.36 . . . . 10.0 114.671 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -63.6 -33.55 75.86 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.723 1.147 . . . . 10.0 108.607 168.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.8 -37.36 73.26 Favored 'General case' 0 C--O 1.211 -0.961 0 C-N-CA 124.729 1.212 . . . . 10.0 112.005 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.7 m -62.81 -38.0 88.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.779 -1.826 . . . . 10.0 111.032 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -59.87 -34.07 72.65 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.278 0.844 . . . . 10.0 113.278 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.24 86.49 4.78 Favored Pre-proline 0 CA--C 1.545 0.787 0 C-N-CA 125.315 1.446 . . . . 10.0 111.59 174.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -47.06 -23.52 2.77 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 124.89 3.727 . . . . 10.0 119.439 -169.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -130.07 31.05 4.72 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 115.51 1.67 . . . . 10.0 115.51 170.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.14 124.4 82.0 Favored Pre-proline 0 N--CA 1.47 0.538 0 N-CA-C 105.445 -2.057 . . . . 10.0 105.445 167.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.98 -25.46 27.55 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 121.695 1.597 . . . . 10.0 115.363 -168.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 m -78.72 -41.07 31.9 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.883 1.22 . . . . 10.0 110.858 171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.42 -41.7 76.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 119.465 1.03 . . . . 10.0 111.765 170.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -35.15 39.25 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.213 1.005 . . . . 10.0 110.806 -177.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.43 98.46 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.873 0.869 . . . . 10.0 110.79 169.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.68 -53.5 40.33 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.624 1.57 . . . . 10.0 110.949 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -54.39 -46.01 73.01 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 117.909 -1.043 . . . . 10.0 112.442 170.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -64.61 -39.79 94.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.527 1.512 . . . . 10.0 112.693 176.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.87 -47.3 75.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.694 1.198 . . . . 10.0 112.575 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.584 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.8 mt -69.08 -35.52 69.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.738 0.815 . . . . 10.0 109.748 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.0 ttm -68.39 -33.95 75.17 Favored 'General case' 0 C--O 1.225 -0.199 0 N-CA-C 113.077 0.769 . . . . 10.0 113.077 175.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.9 m -59.72 -45.66 91.48 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.861 0.755 . . . . 10.0 110.93 169.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.5 -44.81 89.78 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.29 0.636 . . . . 10.0 112.564 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -60.6 -48.2 82.82 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.42 1.088 . . . . 10.0 112.534 177.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -70.68 -38.72 73.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.477 0.711 . . . . 10.0 110.903 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.26 -41.91 98.86 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.952 0.901 . . . . 10.0 112.185 174.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -61.55 -49.03 78.31 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.569 0.622 . . . . 10.0 112.101 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -45.48 84.49 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.532 1.133 . . . . 10.0 112.741 174.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -61.65 -49.69 75.52 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.559 1.144 . . . . 10.0 112.42 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.18 -41.31 81.65 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -59.06 -39.13 81.14 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.386 1.074 . . . . 10.0 112.21 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.3 m -74.48 -47.5 32.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.407 0.683 . . . . 10.0 111.888 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.1 t -61.95 -44.14 97.38 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.704 1.202 . . . . 10.0 112.647 -176.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.58 -26.19 67.81 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.8 t -84.55 -50.57 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 125.455 1.502 . . . . 10.0 110.538 173.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.94 -22.86 67.11 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.1 1.36 . . . . 10.0 114.31 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -118.52 11.95 13.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.938 1.695 . . . . 10.0 113.014 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.1 ttt -52.18 -38.37 57.59 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.383 1.073 . . . . 10.0 113.606 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.35 -23.24 66.94 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.027 1.331 . . . . 10.0 114.078 176.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -87.84 -41.29 13.34 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.562 1.145 . . . . 10.0 111.459 172.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.97 -34.51 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.029 0.932 . . . . 10.0 111.848 173.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.84 -16.82 19.06 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 125.3 1.44 . . . . 10.0 114.814 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.5 m -125.49 -8.39 6.88 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.811 1.644 . . . . 10.0 113.836 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m -138.82 43.12 2.11 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.452 1.901 . . . . 10.0 111.159 -173.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.6 tp -60.02 -21.39 21.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 126.352 1.861 . . . . 10.0 114.837 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.39 154.67 27.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.121 1.368 . . . . 10.0 113.261 -177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -131.92 6.25 4.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.795 1.238 . . . . 10.0 113.572 -173.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -138.19 169.26 18.11 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.972 1.309 . . . . 10.0 112.967 -169.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -146.86 165.33 30.05 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.11 1.764 . . . . 10.0 110.816 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -58.66 158.35 8.01 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.936 1.294 . . . . 10.0 112.888 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -62.84 -23.91 67.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 114.581 1.326 . . . . 10.0 114.581 -178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -145.63 172.88 12.62 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.383 1.473 . . . . 10.0 111.532 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.338 0 C-N-CA 125.607 1.563 . . . . 10.0 113.145 -172.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.333 0.111 . . . . 10.0 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -138.06 -9.34 1.54 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.062 1.345 . . . . 10.0 114.388 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.91 152.3 25.15 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.008 1.723 . . . . 10.0 110.782 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.45 137.16 48.46 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.099 3.2 . . . . 10.0 114.442 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 160.92 6.37 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.867 3.045 . . . . 10.0 114.179 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -137.7 158.04 72.43 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 125.095 1.358 . . . . 10.0 112.191 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.78 152.14 23.57 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.725 3.617 . . . . 10.0 114.796 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.5 13.98 11.03 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 10.0 113.172 -173.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.77 12.98 6.35 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.975 1.71 . . . . 10.0 114.135 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.31 -20.48 3.0 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.247 1.419 . . . . 10.0 113.721 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.77 -19.7 61.31 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.31 1.044 . . . . 10.0 113.102 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -148.44 149.56 31.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.036 1.734 . . . . 10.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.11 -169.14 3.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.123 1.769 . . . . 10.0 111.27 177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -66.09 28.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.794 2.438 . . . . 10.0 117.186 -169.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -52.1 -33.25 38.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.755 1.622 . . . . 10.0 115.275 -175.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.68 -52.18 36.06 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.014 0.816 . . . . 10.0 112.611 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -66.04 -33.98 77.04 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.058 0.929 . . . . 10.0 112.941 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.42 -22.82 55.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.651 1.18 . . . . 10.0 112.964 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -95.54 -43.94 7.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.408 1.083 . . . . 10.0 111.249 169.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.75 -32.62 58.94 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.283 1.897 . . . . 10.0 115.256 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.76 -24.62 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 125.031 1.332 . . . . 10.0 113.428 174.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.53 61.14 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.751 1.167 . . . . 10.0 114.066 169.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.42 37.06 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 10.0 112.54 173.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.97 67.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 175.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.7 -26.51 68.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.599 1.09 . . . . 10.0 113.936 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.25 -18.19 61.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.5 1.12 . . . . 10.0 113.45 172.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -98.06 -37.97 9.54 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.108 -0.995 . . . . 10.0 111.702 172.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 37.37 0.1 OUTLIER Glycine 0 CA--C 1.539 1.571 0 C-N-CA 130.407 3.86 . . . . 10.0 116.183 177.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -146.62 -47.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 128.781 2.832 . . . . 10.0 109.598 -171.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -73.28 -41.92 63.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.045 1.338 . . . . 10.0 108.305 168.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.55 -36.15 73.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.683 2.393 . . . . 10.0 113.617 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -43.76 95.05 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.002 1.321 . . . . 10.0 111.072 -177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.14 -24.39 67.87 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.82 -57.86 5.57 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.898 1.279 . . . . 10.0 110.625 175.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -68.24 -19.9 64.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.796 1.638 . . . . 10.0 112.812 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -57.77 -34.92 70.08 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.95 1.25 . . . . 10.0 112.795 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.2 -24.4 66.3 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 173.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -94.59 -44.94 7.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.658 1.183 . . . . 10.0 112.218 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -62.69 -31.92 72.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.228 1.411 . . . . 10.0 113.232 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -58.77 -25.17 62.8 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -60.18 -28.55 68.05 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.636 1.174 . . . . 10.0 113.047 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.62 -31.51 15.85 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.679 1.192 . . . . 10.0 113.226 173.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.02 -32.32 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.81 1.244 . . . . 10.0 111.752 173.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m -96.11 -0.68 49.91 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 tt -145.18 -11.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -170.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -62.71 -7.9 5.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.507 2.41 . . . . 10.0 117.507 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.53 136.83 58.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.58 1.152 . . . . 10.0 113.126 -175.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -59.96 125.66 24.51 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.8 0.84 . . . . 10.0 111.447 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -17.42 48.86 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -176.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -69.11 158.8 34.14 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.384 1.073 . . . . 10.0 113.01 176.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -140.81 8.25 2.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.848 1.259 . . . . 10.0 114.223 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -151.53 154.07 35.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.498 1.519 . . . . 10.0 110.716 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.694 1.598 . . . . 10.0 111.922 -173.137 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 mmt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.333 0.111 . . . . 10.0 110.868 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -138.06 -9.34 1.54 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.062 1.345 . . . . 10.0 114.388 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.91 152.3 25.15 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 126.008 1.723 . . . . 10.0 110.782 -173.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -51.45 137.16 48.46 Favored 'Trans proline' 0 CA--C 1.548 1.199 0 C-N-CA 124.099 3.2 . . . . 10.0 114.442 177.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.55 160.92 6.37 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.867 3.045 . . . . 10.0 114.179 169.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -137.7 158.04 72.43 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 125.095 1.358 . . . . 10.0 112.191 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.78 152.14 23.57 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.725 3.617 . . . . 10.0 114.796 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -121.5 13.98 11.03 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.407 1.483 . . . . 10.0 113.172 -173.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -128.77 12.98 6.35 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.975 1.71 . . . . 10.0 114.135 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.31 -20.48 3.0 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.247 1.419 . . . . 10.0 113.721 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.77 -19.7 61.31 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.31 1.044 . . . . 10.0 113.102 171.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -148.44 149.56 31.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.036 1.734 . . . . 10.0 111.057 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.11 -169.14 3.16 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.123 1.769 . . . . 10.0 111.27 177.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 4.8 m-90 -66.09 28.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.794 2.438 . . . . 10.0 117.186 -169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.5 p -52.1 -33.25 38.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.755 1.622 . . . . 10.0 115.275 -175.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.68 -52.18 36.06 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.014 0.816 . . . . 10.0 112.611 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -66.04 -33.98 77.04 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.058 0.929 . . . . 10.0 112.941 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 36.9 tp -58.42 -22.82 55.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.651 1.18 . . . . 10.0 112.964 173.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.7 m -95.54 -43.94 7.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.408 1.083 . . . . 10.0 111.249 169.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.75 -32.62 58.94 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.283 1.897 . . . . 10.0 115.256 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.1 tt -54.76 -24.62 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 125.031 1.332 . . . . 10.0 113.428 174.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -53.65 -39.53 61.14 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.751 1.167 . . . . 10.0 114.066 169.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.61 -28.42 37.06 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.079 1.352 . . . . 10.0 112.54 173.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.25 -23.97 67.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 113.986 1.106 . . . . 10.0 113.986 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -63.7 -26.51 68.69 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.599 1.09 . . . . 10.0 113.936 176.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.25 -18.19 61.84 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.5 1.12 . . . . 10.0 113.45 172.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -98.06 -37.97 9.54 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.108 -0.995 . . . . 10.0 111.702 172.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.67 37.37 0.1 OUTLIER Glycine 0 CA--C 1.539 1.571 0 C-N-CA 130.407 3.86 . . . . 10.0 116.183 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -146.62 -47.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 128.781 2.832 . . . . 10.0 109.598 -171.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.7 mttt -73.28 -41.92 63.05 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.045 1.338 . . . . 10.0 108.305 168.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -58.55 -36.15 73.46 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.683 2.393 . . . . 10.0 113.617 169.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.02 -43.76 95.05 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.002 1.321 . . . . 10.0 111.072 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.43 -36.01 79.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.087 0.555 . . . . 10.0 112.053 174.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 34' ' ' LYS . 1.5 tpmt? -70.69 -37.3 73.58 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 118.633 -0.699 . . . . 10.0 112.76 173.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -58.65 -41.92 87.17 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.096 0.862 . . . . 10.0 111.366 170.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -72.62 -39.96 66.83 Favored 'General case' 0 N--CA 1.462 0.136 0 N-CA-C 112.816 0.673 . . . . 10.0 112.816 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -66.3 -32.97 74.69 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 118.756 0.707 . . . . 10.0 112.179 172.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.91 -39.71 90.81 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.334 -0.854 . . . . 10.0 111.947 169.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.69 -46.21 89.75 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 121.93 -0.481 . . . . 10.0 110.953 170.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -66.94 -25.3 66.28 Favored 'General case' 0 C--O 1.225 -0.21 0 C-N-CA 125.187 1.395 . . . . 10.0 112.392 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -79.97 -37.41 34.44 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.96 1.254 . . . . 10.0 114.151 169.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -64.19 -31.43 72.63 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.572 1.078 . . . . 10.0 109.253 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.7 tp -73.25 -35.3 66.21 Favored 'General case' 0 C--O 1.21 -0.976 0 C-N-CA 124.581 1.152 . . . . 10.0 111.842 168.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.67 -38.48 91.27 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 119.411 -2.056 . . . . 10.0 111.044 178.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -60.43 -33.72 72.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.164 0.985 . . . . 10.0 112.713 174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -150.74 90.31 4.24 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.599 1.56 . . . . 10.0 112.265 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -50.61 -18.86 4.31 Favored 'Trans proline' 0 C--N 1.355 0.888 0 C-N-CA 124.964 3.776 . . . . 10.0 118.704 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.316 29.2 t -136.89 34.86 2.62 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.926 1.084 . . . . 10.0 113.926 169.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.95 124.38 84.95 Favored Pre-proline 0 CA--C 1.537 0.467 0 N-CA-C 104.248 -2.501 . . . . 10.0 104.248 166.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.44 -25.43 30.07 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.64 1.56 . . . . 10.0 115.391 -168.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.5 m -79.23 -40.27 31.06 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.847 1.203 . . . . 10.0 110.877 171.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.43 -41.59 76.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 119.622 1.101 . . . . 10.0 111.8 169.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.83 -35.52 38.2 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 123.951 0.9 . . . . 10.0 111.003 -177.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.19 97.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.696 0.798 . . . . 10.0 111.17 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -65.67 -53.49 40.53 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.547 1.539 . . . . 10.0 110.824 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -54.08 -45.27 71.72 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 118.173 -0.917 . . . . 10.0 112.75 170.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.64 -39.95 94.59 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.216 1.371 . . . . 10.0 112.72 176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -67.89 -45.36 74.71 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.605 1.162 . . . . 10.0 112.444 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -70.26 -35.32 62.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.838 0.855 . . . . 10.0 109.851 176.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.5 ttm -68.72 -33.12 73.4 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.407 -0.808 . . . . 10.0 112.822 175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.5 m -62.36 -36.19 81.48 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.173 0.989 . . . . 10.0 112.096 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -72.91 -44.79 60.84 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.703 0.801 . . . . 10.0 111.941 169.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -57.75 -43.81 85.68 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 124.921 1.288 . . . . 10.0 113.127 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -63.14 -24.39 67.87 Favored 'General case' 0 CA--C 1.551 0.99 0 N-CA-C 113.254 0.835 . . . . 10.0 113.254 -173.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -67.82 -57.86 5.57 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.898 1.279 . . . . 10.0 110.625 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -68.24 -19.9 64.77 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.796 1.638 . . . . 10.0 112.812 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -57.77 -34.92 70.08 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.95 1.25 . . . . 10.0 112.795 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -61.2 -24.4 66.3 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.676 0.991 . . . . 10.0 113.676 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -94.59 -44.94 7.6 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.658 1.183 . . . . 10.0 112.218 174.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -62.69 -31.92 72.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.228 1.411 . . . . 10.0 113.232 178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 59.5 m -58.77 -25.17 62.8 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.7 t -60.18 -28.55 68.05 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.636 1.174 . . . . 10.0 113.047 171.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.62 -31.51 15.85 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.679 1.192 . . . . 10.0 113.226 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -58.02 -32.32 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.81 1.244 . . . . 10.0 111.752 173.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -51.4 -20.37 1.75 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.485 1.914 . . . . 10.0 114.674 169.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.2 t -116.44 -37.41 3.74 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.894 1.678 . . . . 10.0 112.283 174.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.3 ttt -59.77 -25.48 64.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.938 -1.101 . . . . 10.0 113.313 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -54.41 -27.53 37.49 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.217 1.192 . . . . 10.0 114.217 170.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.08 -31.76 72.83 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.202 1.001 . . . . 10.0 112.519 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 38.2 mm -78.62 -43.43 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.736 1.215 . . . . 10.0 110.598 172.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.67 -36.37 71.82 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.172 0.989 . . . . 10.0 112.717 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.3 t -52.46 -23.53 6.31 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.894 1.678 . . . . 10.0 114.483 174.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.8 m -96.11 -0.68 49.91 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.92 1.288 . . . . 10.0 114.307 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.0 tt -145.18 -11.91 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 115.633 1.716 . . . . 10.0 115.633 -170.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -62.71 -7.9 5.72 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 117.507 2.41 . . . . 10.0 117.507 -175.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.53 136.83 58.17 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.58 1.152 . . . . 10.0 113.126 -175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -59.96 125.66 24.51 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.8 0.84 . . . . 10.0 111.447 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.44 -17.42 48.86 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.683 0.994 . . . . 10.0 113.683 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -69.11 158.8 34.14 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.384 1.073 . . . . 10.0 113.01 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -140.81 8.25 2.11 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.848 1.259 . . . . 10.0 114.223 -177.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -151.53 154.07 35.79 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.498 1.519 . . . . 10.0 110.716 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.694 1.598 . . . . 10.0 111.922 -173.137 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.431 0.158 . . . . 10.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -71.1 -26.48 63.06 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 114.784 1.402 . . . . 10.0 114.784 -172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -157.46 159.58 30.74 Favored Pre-proline 0 CA--C 1.548 0.88 0 C-N-CA 125.571 1.549 . . . . 10.0 111.656 -178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.79 162.08 38.16 Favored 'Trans proline' 0 CA--C 1.548 1.187 0 C-N-CA 123.027 2.485 . . . . 10.0 111.613 170.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.27 172.94 15.04 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.58 2.853 . . . . 10.0 112.671 174.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.3 p -134.29 156.63 78.82 Favored Pre-proline 0 N--CA 1.476 0.872 0 C-N-CA 125.768 1.627 . . . . 10.0 110.999 172.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -50.51 -35.99 47.71 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.689 3.593 . . . . 10.0 115.672 -173.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 tp -53.74 -24.61 15.44 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.044 1.337 . . . . 10.0 113.771 176.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.39 -34.65 75.71 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.05 -0.976 . . . . 10.0 113.557 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.25 -6.28 0.16 Allowed 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 117.404 2.372 . . . . 10.0 117.404 -169.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -58.73 -21.01 54.07 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 121.061 1.755 . . . . 10.0 115.186 -172.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -75.47 -0.38 19.95 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.175 1.79 . . . . 10.0 114.903 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -53.14 -21.73 5.37 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 116.607 2.077 . . . . 10.0 116.607 -171.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -63.35 -23.92 67.62 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.055 1.342 . . . . 10.0 113.803 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.7 t -57.11 109.92 0.74 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.163 1.385 . . . . 10.0 111.659 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.72 -29.55 2.11 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.752 1.168 . . . . 10.0 114.36 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -60.86 -26.75 67.6 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.799 1.239 . . . . 10.0 113.673 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.1 tp -144.54 142.18 30.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.725 2.81 . . . . 10.0 107.182 176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -148.68 29.52 0.84 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.323 1.049 . . . . 10.0 111.862 -169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.33 39.75 93.1 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 120.836 -1.165 . . . . 10.0 112.058 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.325 19.5 tt 0.01 71.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 130.536 3.534 . . . . 10.0 116.299 -168.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.83 -37.17 0.17 Allowed Glycine 0 CA--C 1.534 1.261 0 C-N-CA 127.04 2.257 . . . . 10.0 111.435 173.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.4 tpp180 -58.97 -12.27 4.37 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.805 1.642 . . . . 10.0 112.824 169.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.68 -18.35 65.27 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.896 1.443 . . . . 10.0 114.896 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.18 4.62 14.3 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.191 0.905 . . . . 10.0 112.797 169.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -133.15 17.47 4.1 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 129.076 2.95 . . . . 10.0 110.145 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -55.76 -30.5 61.36 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.802 1.641 . . . . 10.0 114.618 -171.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.65 -12.81 59.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.607 1.098 . . . . 10.0 114.758 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 t -129.93 -11.09 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 126.041 1.736 . . . . 10.0 112.591 179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -49.25 -34.28 14.72 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.411 1.484 . . . . 10.0 111.831 169.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -52.65 -48.62 66.33 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.616 1.966 . . . . 10.0 114.552 170.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.36 -34.44 42.06 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.576 1.55 . . . . 10.0 110.509 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -63.17 -38.03 89.56 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.661 -0.649 . . . . 10.0 111.599 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -66.01 -41.64 90.74 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.743 1.217 . . . . 10.0 112.313 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -61.0 -41.3 96.24 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.639 0.776 . . . . 10.0 112.054 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.3 tp -72.43 -36.97 68.7 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.28 1.032 . . . . 10.0 113.047 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -66.23 -34.01 77.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.294 0.638 . . . . 10.0 111.616 170.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.25 -36.57 81.89 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.405 -0.809 . . . . 10.0 111.761 169.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -46.38 89.91 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.53 -0.732 . . . . 10.0 110.657 169.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.25 -24.67 66.63 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 125.385 1.474 . . . . 10.0 112.39 178.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -38.18 32.38 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.947 1.249 . . . . 10.0 113.803 169.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -62.85 -32.47 73.7 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.89 1.223 . . . . 10.0 109.107 169.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.61 -36.63 68.12 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 124.54 1.136 . . . . 10.0 111.867 169.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -63.14 -37.91 89.11 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 119.373 -2.079 . . . . 10.0 111.091 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -61.28 -32.57 72.4 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.513 1.125 . . . . 10.0 112.598 175.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -152.39 91.22 3.62 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 125.859 1.664 . . . . 10.0 112.049 169.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -48.69 -24.28 6.59 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 124.73 3.62 . . . . 10.0 118.35 -169.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.1 p -130.15 27.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 171.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.73 124.55 76.74 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 105.55 -2.019 . . . . 10.0 105.55 167.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.16 -27.08 25.02 Favored 'Trans proline' 0 N--CA 1.45 -1.068 0 C-N-CA 121.548 1.499 . . . . 10.0 115.229 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 m -76.49 -40.77 49.28 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.816 1.189 . . . . 10.0 110.961 170.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.49 80.13 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 119.498 1.044 . . . . 10.0 111.885 170.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.86 -35.33 44.05 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.919 0.888 . . . . 10.0 110.779 -177.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.19 -41.67 98.56 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.022 0.929 . . . . 10.0 110.963 169.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -64.92 -54.09 36.19 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.458 1.503 . . . . 10.0 110.986 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -55.33 -44.41 75.85 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 118.207 -0.901 . . . . 10.0 112.8 171.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -66.54 -37.96 86.12 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 120.282 1.401 . . . . 10.0 112.783 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.0 ttp -66.21 -48.61 70.04 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.533 1.133 . . . . 10.0 112.289 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.3 mt -68.21 -36.69 76.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.252 0 C-N-CA 123.663 0.785 . . . . 10.0 109.819 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.6 -34.72 76.28 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 119.025 0.829 . . . . 10.0 113.074 176.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -59.89 -47.99 83.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.897 0.879 . . . . 10.0 110.669 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -64.66 -43.81 92.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.856 0.688 . . . . 10.0 112.856 174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.73 -47.98 83.48 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 124.687 1.195 . . . . 10.0 112.529 178.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.91 -37.89 87.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.068 0.547 . . . . 10.0 110.617 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.37 -39.13 93.27 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.559 1.144 . . . . 10.0 112.749 174.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -63.42 -43.79 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 118.911 0.778 . . . . 10.0 112.3 173.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.73 -44.02 97.17 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.301 1.041 . . . . 10.0 112.341 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -61.56 -45.26 94.89 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.1 0.96 . . . . 10.0 112.59 173.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.15 75.05 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.24 0.83 . . . . 10.0 113.24 -174.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -56.98 -31.34 64.95 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.167 0.987 . . . . 10.0 113.414 174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.6 m -97.73 -37.08 10.02 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.567 1.147 . . . . 10.0 112.41 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.1 t -62.29 -36.59 82.59 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.285 1.034 . . . . 10.0 112.645 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.04 99.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.413 -0.805 . . . . 10.0 112.923 174.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.5 t -66.36 -42.25 90.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.496 1.519 . . . . 10.0 111.11 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -59.76 -51.65 68.87 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.576 0.75 . . . . 10.0 111.037 169.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 71.1 m -59.54 -38.06 80.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.271 1.028 . . . . 10.0 113.311 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.8 ttt -57.1 -46.28 82.72 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.854 0.752 . . . . 10.0 111.964 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -73.65 -37.4 65.33 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.474 1.109 . . . . 10.0 112.485 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.8 -46.81 83.48 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.585 1.154 . . . . 10.0 112.021 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.81 -36.36 77.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.243 1.017 . . . . 10.0 111.868 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.26 -32.6 74.26 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.464 -0.773 . . . . 10.0 112.702 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.6 t -86.4 -36.04 19.38 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.022 1.329 . . . . 10.0 113.448 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.9 m -141.41 70.56 1.34 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.66 1.984 . . . . 10.0 110.687 -170.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -27.11 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 125.826 1.65 . . . . 10.0 114.561 -175.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.8 tp -138.55 153.33 48.71 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.86 1.664 . . . . 10.0 110.774 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -136.89 175.3 9.74 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.864 1.665 . . . . 10.0 111.457 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 151.16 9.98 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.065 1.346 . . . . 10.0 114.144 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -88.59 14.75 9.24 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.073 1.349 . . . . 10.0 114.617 -173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -57.06 149.24 19.62 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.803 1.241 . . . . 10.0 114.08 -177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -66.65 157.98 31.18 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.909 1.284 . . . . 10.0 112.732 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.71 146.27 29.19 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.285 1.434 . . . . 10.0 111.433 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.214 0 C-N-CA 126.235 1.814 . . . . 10.0 112.206 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 mmt . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 110.517 -0.179 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 m -137.68 28.0 2.71 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.271 1.428 . . . . 10.0 111.876 -173.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -146.97 160.46 40.24 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 126.093 1.757 . . . . 10.0 112.247 -169.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -71.86 163.32 39.24 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 123.144 2.563 . . . . 10.0 111.84 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -71.21 166.99 27.47 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 123.374 2.716 . . . . 10.0 112.52 174.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' ' 7' ' ' PRO . 72.9 p -138.28 156.48 73.63 Favored Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 125.044 1.337 . . . . 10.0 112.078 175.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' ' 6' ' ' THR . 61.6 Cg_endo -86.08 14.27 2.5 Favored 'Trans proline' 0 CA--C 1.546 1.124 0 C-N-CA 124.631 3.554 . . . . 10.0 113.43 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.33 67.38 0.99 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.547 1.939 . . . . 10.0 111.554 -178.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.0 tp -144.56 -2.39 0.86 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.168 1.787 . . . . 10.0 112.957 -174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.64 -13.25 60.93 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.144 1.535 . . . . 10.0 115.144 -174.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -59.84 -14.96 17.39 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.843 1.794 . . . . 10.0 115.843 -174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -124.62 -21.68 4.78 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.599 1.16 . . . . 10.0 113.438 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.74 -34.59 74.64 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.147 -0.971 . . . . 10.0 112.113 172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.0 t90 -58.58 -17.47 22.02 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.804 1.242 . . . . 10.0 114.173 173.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.4 m -126.22 18.58 7.66 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.486 1.914 . . . . 10.0 112.497 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.85 -37.27 0.04 OUTLIER Glycine 0 N--CA 1.471 1.02 0 N-CA-C 115.817 1.087 . . . . 10.0 115.817 -173.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -61.32 -29.77 70.09 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.278 1.539 . . . . 10.0 113.494 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.3 -14.3 7.05 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.707 1.373 . . . . 10.0 114.707 170.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.3 m -115.34 -36.06 4.44 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.01 1.724 . . . . 10.0 111.329 170.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.11 -40.68 36.81 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 126.202 1.858 . . . . 10.0 113.987 172.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.8 tt -58.53 -16.31 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.001 0 N-CA-C 114.298 1.222 . . . . 10.0 114.298 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -125.91 28.02 5.0 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.668 2.08 . . . . 10.0 113.873 173.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -145.78 -20.59 0.46 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 126.266 1.826 . . . . 10.0 113.711 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.01 -24.12 15.77 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.811 1.645 . . . . 10.0 115.293 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -66.22 -24.52 66.62 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 173.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.47 -22.51 66.29 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.562 1.545 . . . . 10.0 112.958 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -58.2 -24.71 60.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.367 1.067 . . . . 10.0 113.491 174.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.77 -0.65 89.16 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.828 1.204 . . . . 10.0 114.665 172.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -128.87 -10.7 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.492 1.517 . . . . 10.0 113.291 -177.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -52.83 -26.86 15.88 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.024 -1.047 . . . . 10.0 112.342 169.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -56.51 -42.98 79.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.321 1.448 . . . . 10.0 114.461 170.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.68 -38.23 54.81 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.154 1.382 . . . . 10.0 110.379 176.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -63.53 -37.58 87.84 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.499 -0.75 . . . . 10.0 112.09 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -40.68 97.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.117 1.767 . . . . 10.0 112.22 172.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -61.96 -40.37 95.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.012 0.525 . . . . 10.0 111.814 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.2 tp -73.72 -37.86 65.0 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.164 0.801 . . . . 10.0 113.164 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.14 -33.2 75.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.857 0.753 . . . . 10.0 112.132 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.75 -38.08 88.12 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.277 -0.889 . . . . 10.0 111.751 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.574 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.24 -47.57 85.4 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.624 -0.673 . . . . 10.0 110.963 169.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -66.87 -25.69 66.53 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 125.67 1.588 . . . . 10.0 112.602 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.19 -36.58 34.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 120.145 1.339 . . . . 10.0 114.529 169.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -65.66 -29.71 70.31 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.006 1.276 . . . . 10.0 108.669 168.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 tp -74.48 -37.18 63.26 Favored 'General case' 0 C--O 1.21 -1.006 0 C-N-CA 123.97 0.908 . . . . 10.0 111.806 169.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.8 m -63.05 -35.88 81.7 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 119.357 -2.09 . . . . 10.0 110.936 175.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.57 -35.31 74.01 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.139 1.776 . . . . 10.0 112.429 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -154.34 93.81 2.86 Favored Pre-proline 0 CA--C 1.547 0.855 0 C-N-CA 125.756 1.622 . . . . 10.0 111.328 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -48.52 -24.61 6.61 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.425 3.417 . . . . 10.0 118.213 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.1 p -129.97 28.68 5.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.18 121.51 56.3 Favored Pre-proline 0 N--CA 1.469 0.515 0 N-CA-C 105.376 -2.083 . . . . 10.0 105.376 167.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -68.93 -26.85 31.2 Favored 'Trans proline' 0 N--CA 1.449 -1.089 0 C-N-CA 121.717 1.612 . . . . 10.0 114.857 -168.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.1 m -75.9 -42.32 49.39 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.79 1.177 . . . . 10.0 110.736 170.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.54 -41.27 76.54 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.641 1.11 . . . . 10.0 112.131 171.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.95 -35.26 37.91 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.264 1.026 . . . . 10.0 110.908 -177.119 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.47 99.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.02 0.928 . . . . 10.0 110.885 169.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -65.26 -52.97 51.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.485 1.514 . . . . 10.0 110.877 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -54.47 -45.46 73.18 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 118.286 -0.864 . . . . 10.0 112.791 170.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -65.28 -38.57 90.68 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.292 1.406 . . . . 10.0 112.478 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 66.2 ttp -66.62 -48.99 67.74 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.309 1.044 . . . . 10.0 112.343 176.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -69.45 -34.92 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 123.642 0.777 . . . . 10.0 110.035 179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.8 ttm -70.0 -33.78 72.48 Favored 'General case' 0 N--CA 1.462 0.159 0 O-C-N 121.56 -0.712 . . . . 10.0 112.413 175.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 65.4 m -60.33 -46.58 89.41 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.408 0.683 . . . . 10.0 110.56 169.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.14 -43.39 92.03 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 174.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -59.09 -49.11 79.13 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.74 1.216 . . . . 10.0 111.897 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -70.31 -39.83 74.58 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.011 0.525 . . . . 10.0 111.161 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.78 -44.04 97.66 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.424 1.09 . . . . 10.0 112.06 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -60.83 -49.3 78.03 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.383 0.538 . . . . 10.0 111.483 175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -57.49 -46.35 83.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.689 0.796 . . . . 10.0 112.388 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -62.25 -45.44 93.28 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.205 1.002 . . . . 10.0 112.887 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.0 -40.2 78.86 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -64.68 -41.85 95.77 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.203 1.001 . . . . 10.0 111.633 174.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.8 m -63.47 -41.51 98.61 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.595 -0.691 . . . . 10.0 112.523 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.5 t -64.94 -44.97 87.71 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.178 0.991 . . . . 10.0 112.063 174.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.04 73.52 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.09 0.956 . . . . 10.0 113.492 -177.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.36 -20.81 26.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 124.359 1.064 . . . . 10.0 113.531 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -113.17 -8.07 13.57 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.296 1.438 . . . . 10.0 114.006 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -140.74 19.55 2.33 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.541 1.537 . . . . 10.0 113.484 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 14.6 tpt -48.66 -48.74 39.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.113 1.365 . . . . 10.0 114.344 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -69.49 -28.44 66.06 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.708 1.003 . . . . 10.0 113.708 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -71.54 -44.69 64.13 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.307 0.643 . . . . 10.0 111.135 173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.4 mt -61.01 -47.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.238 0.615 . . . . 10.0 110.523 175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -59.24 -15.72 17.07 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.672 1.189 . . . . 10.0 114.136 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 50.0 m -106.8 -10.5 16.05 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.44 1.496 . . . . 10.0 114.354 178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 m -142.5 -1.94 1.12 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.305 1.965 . . . . 10.0 116.305 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.1 tt -54.11 143.53 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.535 1.134 . . . . 10.0 112.885 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -149.62 166.27 29.8 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.771 1.628 . . . . 10.0 112.602 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -131.32 1.14 4.14 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.851 1.261 . . . . 10.0 113.56 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -135.32 152.23 51.27 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.535 1.934 . . . . 10.0 109.986 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -144.12 153.04 41.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.373 1.069 . . . . 10.0 111.825 -170.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 -64.56 -35.86 82.34 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.87 0.868 . . . . 10.0 112.831 175.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -155.75 159.23 39.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.979 1.712 . . . . 10.0 110.351 174.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -147.58 -3.86 0.53 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -170.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.254 1.305 0 CA-C-N 119.803 1.183 . . . . 10.0 113.014 -176.843 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 110.346 -0.242 . . . . 10.0 110.346 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -64.43 -21.63 66.71 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.566 1.321 . . . . 10.0 114.566 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -149.13 158.84 38.26 Favored Pre-proline 0 CA--C 1.547 0.832 0 C-N-CA 126.406 1.882 . . . . 10.0 110.647 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -73.9 160.63 42.93 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.517 2.145 . . . . 10.0 111.899 172.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.2 -37.42 87.74 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 124.288 3.325 . . . . 10.0 116.252 174.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 155.43 81.23 Favored Pre-proline 0 N--CA 1.47 0.573 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -169.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.05 -37.47 92.75 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 124.455 3.437 . . . . 10.0 113.811 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.0 tp -59.95 -36.12 76.41 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.562 1.145 . . . . 10.0 112.941 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.89 -5.48 12.67 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.153 1.381 . . . . 10.0 114.128 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.92 8.04 5.64 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.046 1.738 . . . . 10.0 113.063 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -72.12 -12.3 61.14 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.607 1.163 . . . . 10.0 113.543 178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -146.82 163.04 37.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.522 1.929 . . . . 10.0 111.612 -178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -154.0 -41.59 0.09 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.268 1.027 . . . . 10.0 112.495 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -134.28 -5.01 2.66 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.263 1.425 . . . . 10.0 114.194 -176.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.0 t -56.2 -26.31 50.48 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.695 1.368 . . . . 10.0 114.695 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.57 -33.2 33.08 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.72 1.152 . . . . 10.0 114.823 171.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -60.58 -37.66 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.401 1.08 . . . . 10.0 112.649 174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -70.47 -31.62 68.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.479 1.112 . . . . 10.0 112.165 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.4 m -59.98 -34.75 73.72 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.014 0.825 . . . . 10.0 111.614 171.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.56 -29.28 57.41 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.879 1.704 . . . . 10.0 115.366 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.2 tp -108.22 -30.04 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.025 1.33 . . . . 10.0 112.891 177.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.41 -33.3 75.53 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.063 1.316 . . . . 10.0 114.037 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -62.37 -13.23 27.01 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.914 1.686 . . . . 10.0 114.624 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.21 -18.85 17.7 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 116.593 2.071 . . . . 10.0 116.593 -174.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 p90 -69.03 -22.51 64.04 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.809 1.186 . . . . 10.0 113.874 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -82.66 -4.0 57.12 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.684 1.594 . . . . 10.0 113.435 -172.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.57 -24.89 50.45 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 116.069 1.878 . . . . 10.0 116.069 -169.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.0 0.48 60.53 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.026 1.298 . . . . 10.0 114.808 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 t -124.54 -6.55 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.867 1.667 . . . . 10.0 111.775 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -51.08 -30.27 15.43 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.498 1.519 . . . . 10.0 112.476 170.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.79 -52.19 64.82 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.603 1.561 . . . . 10.0 113.061 169.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -35.51 73.11 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.29 1.436 . . . . 10.0 110.804 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -60.35 -40.4 90.58 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.706 -0.621 . . . . 10.0 111.3 170.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -68.47 -37.56 80.28 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.422 1.089 . . . . 10.0 112.493 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -60.11 -42.81 95.51 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.14 0.576 . . . . 10.0 111.596 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.7 tp -72.1 -37.25 69.57 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.929 0.892 . . . . 10.0 112.994 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -66.48 -34.48 78.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.669 0.787 . . . . 10.0 111.455 171.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.73 -37.16 85.64 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.806 0.73 . . . . 10.0 111.674 169.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.48 -47.58 85.51 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.477 -0.764 . . . . 10.0 110.782 169.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -66.78 -24.79 66.24 Favored 'General case' 0 C--O 1.222 -0.39 0 C-N-CA 125.576 1.551 . . . . 10.0 112.659 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -37.52 33.32 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 119.965 1.257 . . . . 10.0 114.258 169.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -64.56 -32.3 73.89 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.65 1.114 . . . . 10.0 109.0 168.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.1 tp -71.94 -34.34 68.95 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.186 0.995 . . . . 10.0 111.624 168.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.8 m -65.3 -38.73 91.14 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 119.264 -2.147 . . . . 10.0 110.994 178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -60.81 -32.18 71.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.742 0.817 . . . . 10.0 112.903 174.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -151.24 89.89 4.16 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 125.432 1.493 . . . . 10.0 112.431 171.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -48.91 -24.56 7.4 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 124.695 3.597 . . . . 10.0 118.483 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.3 p -130.02 28.35 5.06 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 116.081 1.882 . . . . 10.0 116.081 171.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.38 125.01 80.86 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 105.997 -1.853 . . . . 10.0 105.997 167.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.57 -27.91 26.81 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.742 1.628 . . . . 10.0 115.632 -168.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.8 m -77.14 -41.29 42.45 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.99 1.268 . . . . 10.0 111.04 171.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.74 -42.11 74.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 119.601 1.091 . . . . 10.0 111.743 170.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -35.99 40.87 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.949 0.899 . . . . 10.0 111.125 -177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.79 97.82 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.037 0.935 . . . . 10.0 111.225 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.58 -53.12 46.33 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.512 1.525 . . . . 10.0 110.909 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -54.44 -45.44 73.05 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-O 118.112 -0.947 . . . . 10.0 112.784 170.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.33 -38.59 90.61 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 120.271 1.396 . . . . 10.0 112.579 177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 65.4 ttp -67.64 -48.48 66.57 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.352 1.061 . . . . 10.0 112.579 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.614 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.7 mt -66.79 -35.4 74.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.616 0.766 . . . . 10.0 109.697 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.9 ttm -68.76 -35.56 77.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.196 0.907 . . . . 10.0 113.07 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.2 m -60.67 -45.68 93.24 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.843 0.857 . . . . 10.0 111.246 171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -67.48 -41.69 84.17 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.484 0.714 . . . . 10.0 112.678 174.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -57.49 -50.62 72.45 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.179 1.392 . . . . 10.0 111.977 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -66.38 -41.64 89.11 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.867 0.467 . . . . 10.0 111.008 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.8 tp -61.19 -49.05 78.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.495 1.118 . . . . 10.0 112.176 175.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -67.71 -41.15 84.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.104 0.562 . . . . 10.0 112.323 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -59.99 -42.55 94.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.715 1.206 . . . . 10.0 112.096 175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -62.81 -49.49 74.72 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.731 0.812 . . . . 10.0 112.561 170.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.37 75.51 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.409 0.892 . . . . 10.0 113.409 -175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -60.88 -37.4 82.03 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.471 1.108 . . . . 10.0 112.213 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.7 t -65.29 -46.34 80.79 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.385 0.674 . . . . 10.0 111.553 173.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 61.2 m -61.37 -39.74 91.75 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.448 -0.782 . . . . 10.0 113.029 175.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.62 -33.97 76.78 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.188 0.811 . . . . 10.0 113.188 177.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.2 t -75.19 -45.54 41.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 125.021 1.328 . . . . 10.0 111.061 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -54.76 -38.96 67.84 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.134 1.374 . . . . 10.0 112.971 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.3 m -112.85 12.81 19.55 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.89 1.276 . . . . 10.0 113.518 -171.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.4 ttp -51.08 -44.86 61.28 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.534 1.134 . . . . 10.0 113.784 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.3 -27.81 69.29 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.316 1.228 . . . . 10.0 114.316 178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -85.06 -40.28 17.0 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.312 1.045 . . . . 10.0 111.474 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.7 mt -59.39 -41.19 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.974 1.31 . . . . 10.0 111.303 176.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.73 -34.96 76.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.832 0.853 . . . . 10.0 113.133 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -77.92 -35.47 50.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.321 1.048 . . . . 10.0 112.357 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.5 m -79.76 6.57 10.53 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.059 1.744 . . . . 10.0 114.529 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 tt -54.05 143.81 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.993 1.317 . . . . 10.0 112.973 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 tp -61.05 151.01 31.98 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.59 1.556 . . . . 10.0 113.041 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.58 2.78 8.95 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.229 1.411 . . . . 10.0 113.93 173.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -135.14 175.94 9.12 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.43 2.292 . . . . 10.0 110.688 -176.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -54.12 132.77 43.6 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.111 0.964 . . . . 10.0 112.894 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -75.01 159.95 31.13 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.257 1.023 . . . . 10.0 112.578 -177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -59.76 142.23 53.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.196 0.998 . . . . 10.0 111.563 169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.9 p-80 -158.46 168.97 25.51 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.203 1.401 . . . . 10.0 111.825 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.883 1.673 . . . . 10.0 111.188 179.647 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.339 0 N-CA-C 110.113 -0.328 . . . . 10.0 110.113 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 m -64.85 158.12 25.98 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.235 1.014 . . . . 10.0 112.798 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -60.8 155.45 52.18 Favored Pre-proline 0 CA--C 1.551 0.991 0 C-N-CA 123.576 0.75 . . . . 10.0 112.923 173.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -72.14 162.96 40.18 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.032 2.488 . . . . 10.0 111.57 171.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.4 167.86 24.07 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.474 2.783 . . . . 10.0 112.931 176.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.5 p -136.92 159.12 71.36 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 125.513 1.525 . . . . 10.0 111.813 176.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -52.91 154.01 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 125.048 3.832 . . . . 10.0 115.084 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 99.4 mt -138.95 175.9 9.15 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.553 1.941 . . . . 10.0 111.313 -176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.11 102.01 0.19 Allowed 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.121 1.369 . . . . 10.0 111.557 174.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.21 172.9 17.66 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.725 1.61 . . . . 10.0 111.641 -178.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -55.53 -28.78 56.82 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.712 1.375 . . . . 10.0 114.712 -175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.9 p90 -69.93 -4.8 22.2 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.256 1.576 . . . . 10.0 115.256 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -55.56 -20.65 14.04 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 116.496 2.036 . . . . 10.0 116.496 -171.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.7 p-90 -133.74 -15.15 2.4 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.481 1.289 . . . . 10.0 114.481 -176.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.2 m -59.42 -33.33 71.11 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.369 1.067 . . . . 10.0 113.862 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.57 -30.36 60.22 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 124.479 1.038 . . . . 10.0 114.443 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -56.52 -36.66 69.47 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.943 1.297 . . . . 10.0 113.448 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -66.22 -13.04 59.69 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.7 1.6 . . . . 10.0 113.72 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.9 m -116.52 -29.45 6.14 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.565 1.546 . . . . 10.0 111.671 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -50.92 -37.45 35.89 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.871 1.701 . . . . 10.0 114.102 172.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.6 tp -56.04 -27.35 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 125.283 1.433 . . . . 10.0 113.995 174.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -101.48 -38.21 3.31 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.289 1.423 . . . . 10.0 112.939 174.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -59.86 -18.11 41.83 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.603 1.161 . . . . 10.0 113.462 174.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.13 -10.75 11.22 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.336 1.606 . . . . 10.0 115.336 170.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -76.42 -3.84 39.24 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 119.403 1.001 . . . . 10.0 112.102 168.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -127.88 -21.64 3.66 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.357 1.863 . . . . 10.0 114.293 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -24.79 41.12 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.675 1.732 . . . . 10.0 115.675 -169.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.98 -12.65 65.43 Favored Glycine 0 CA--C 1.539 1.594 0 C-N-CA 124.668 1.128 . . . . 10.0 115.072 173.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -132.14 -28.47 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 C-N-CA 125.0 1.32 . . . . 10.0 112.889 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -54.76 -20.05 7.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.746 1.218 . . . . 10.0 111.528 168.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -45.07 -39.78 6.11 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.498 2.319 . . . . 10.0 115.13 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.37 -41.17 49.0 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.073 -1.017 . . . . 10.0 110.734 175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -62.63 -33.78 75.72 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.527 -0.733 . . . . 10.0 111.855 175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -61.41 -48.57 80.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.704 1.202 . . . . 10.0 110.817 170.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -57.65 -38.47 75.13 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.352 0.661 . . . . 10.0 111.655 177.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 22.9 tp -73.72 -39.1 64.54 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 113.322 0.86 . . . . 10.0 113.322 177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -65.75 -32.37 73.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.755 0.707 . . . . 10.0 112.102 170.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.48 -42.38 92.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.935 1.294 . . . . 10.0 110.849 171.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.53 -46.89 85.87 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.447 -0.783 . . . . 10.0 111.129 170.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -66.44 -24.7 66.49 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 125.155 1.382 . . . . 10.0 112.595 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.23 -37.57 32.78 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 120.039 1.29 . . . . 10.0 114.282 169.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -62.91 -34.88 78.35 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 119.723 1.147 . . . . 10.0 108.512 168.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.8 tp -70.13 -35.25 73.95 Favored 'General case' 0 C--O 1.209 -1.03 0 C-N-CA 124.611 1.164 . . . . 10.0 112.167 169.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.9 m -64.56 -38.33 90.64 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 119.421 -2.049 . . . . 10.0 110.941 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -61.98 -30.89 71.24 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.108 0.781 . . . . 10.0 113.108 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -151.8 90.59 3.88 Favored Pre-proline 0 CA--C 1.548 0.899 0 C-N-CA 125.468 1.507 . . . . 10.0 112.302 170.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -49.14 -24.51 8.0 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.716 3.611 . . . . 10.0 118.416 -169.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 76.5 p -129.95 29.29 4.98 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 116.001 1.852 . . . . 10.0 116.001 171.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.24 125.31 83.73 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.651 -1.981 . . . . 10.0 105.651 167.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.04 -24.82 23.41 Favored 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 121.604 1.536 . . . . 10.0 115.569 -168.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 m -78.79 -40.93 31.74 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.047 1.294 . . . . 10.0 110.712 171.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.56 -42.24 78.25 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 119.273 0.942 . . . . 10.0 111.813 169.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -35.34 40.07 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.919 0.888 . . . . 10.0 110.966 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.16 98.59 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.796 0.838 . . . . 10.0 110.918 169.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -65.25 -53.25 47.13 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.362 1.465 . . . . 10.0 110.939 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.49 -45.77 73.29 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.022 -0.99 . . . . 10.0 112.584 171.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.11 -37.99 89.25 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 120.5 1.5 . . . . 10.0 112.941 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.8 tmm? -68.6 -46.42 69.36 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 124.587 1.155 . . . . 10.0 112.474 177.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -69.34 -35.48 67.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 123.645 0.778 . . . . 10.0 110.053 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -67.78 -32.16 72.55 Favored 'General case' 0 C--O 1.225 -0.197 0 O-C-N 121.465 -0.772 . . . . 10.0 112.555 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 71.8 m -62.16 -41.93 98.78 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.428 0.691 . . . . 10.0 111.343 170.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.4 -42.2 79.37 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.184 0.809 . . . . 10.0 113.184 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -62.65 -44.44 96.27 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.233 1.013 . . . . 10.0 112.28 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -68.24 -34.94 77.14 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.365 0.666 . . . . 10.0 111.202 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.7 -45.91 87.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.355 1.062 . . . . 10.0 111.447 172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -55.42 -44.39 76.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.691 0.796 . . . . 10.0 112.189 169.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -44.04 86.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.645 1.178 . . . . 10.0 112.411 175.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -69.67 -32.14 70.6 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.148 0.979 . . . . 10.0 113.622 173.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -34.75 73.85 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.455 -0.778 . . . . 10.0 112.441 174.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -62.68 -36.26 82.31 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.739 0.816 . . . . 10.0 112.15 170.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.8 m -69.38 -36.5 76.87 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.845 0.748 . . . . 10.0 112.318 169.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.2 m -64.32 -25.22 67.94 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 120.92 -1.113 . . . . 10.0 113.464 177.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.28 -28.86 70.02 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.289 -0.882 . . . . 10.0 113.187 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 t -78.88 -41.79 24.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 10.0 110.703 172.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.15 -33.32 67.28 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 123.656 0.782 . . . . 10.0 112.597 173.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.2 m -65.15 -4.4 4.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.025 1.73 . . . . 10.0 114.912 174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -54.47 -27.9 40.79 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.422 1.464 . . . . 10.0 114.114 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -65.05 -32.3 73.95 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.664 1.186 . . . . 10.0 113.257 173.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -77.41 -37.88 50.92 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.842 0.857 . . . . 10.0 111.455 172.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.9 mm -61.12 -41.4 89.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 123.52 0.728 . . . . 10.0 111.439 173.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -57.72 -23.77 53.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.03 1.332 . . . . 10.0 114.183 177.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 m -74.82 -12.19 60.33 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.974 1.102 . . . . 10.0 113.974 174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.0 m -137.27 -5.95 1.82 Allowed 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.126 1.37 . . . . 10.0 114.598 -171.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.6 tp -58.25 -15.91 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 126.331 1.852 . . . . 10.0 114.875 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.43 -10.32 24.33 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.382 1.473 . . . . 10.0 113.796 171.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -134.43 165.86 24.18 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.983 1.713 . . . . 10.0 112.698 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -150.81 -49.39 0.12 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.882 1.273 . . . . 10.0 112.655 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.25 154.71 14.92 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.851 1.661 . . . . 10.0 111.462 176.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -68.77 -13.59 62.49 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.361 1.245 . . . . 10.0 114.361 176.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -61.4 126.62 28.0 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.846 1.259 . . . . 10.0 111.975 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -150.19 10.74 0.7 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.619 1.168 . . . . 10.0 113.868 -176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.077 1.751 . . . . 10.0 112.459 -171.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 119.129 -0.462 . . . . 10.0 110.449 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -62.87 155.75 26.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.724 1.21 . . . . 10.0 113.887 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -151.44 157.79 34.69 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.863 1.665 . . . . 10.0 111.412 176.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.32 148.59 14.13 Favored 'Trans proline' 0 CA--C 1.545 1.027 0 C-N-CA 124.094 3.196 . . . . 10.0 113.641 169.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -67.87 149.77 78.12 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.414 2.743 . . . . 10.0 113.502 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.0 p -143.54 159.19 55.43 Favored Pre-proline 0 N--CA 1.476 0.862 0 C-N-CA 126.29 1.836 . . . . 10.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_exo -52.08 108.37 0.24 Allowed 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 125.097 3.865 . . . . 10.0 113.882 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.3 tp -156.77 123.24 5.02 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.796 1.638 . . . . 10.0 109.995 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.2 mt -144.46 156.65 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.759 1.624 . . . . 10.0 111.139 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.97 159.6 28.2 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.112 0.965 . . . . 10.0 111.943 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -152.25 162.86 40.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.675 1.19 . . . . 10.0 111.353 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -55.18 -7.93 0.25 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.241 1.816 . . . . 10.0 115.385 176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -53.42 -32.37 49.4 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.876 1.671 . . . . 10.0 111.836 168.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 69.7 p-90 -151.34 -24.63 0.2 Allowed 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.317 1.447 . . . . 10.0 114.236 176.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 t -82.97 170.28 15.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.758 1.223 . . . . 10.0 112.551 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.59 -53.76 2.0 Allowed Glycine 0 CA--C 1.533 1.202 0 C-N-CA 126.369 1.938 . . . . 10.0 113.88 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -64.69 -28.21 69.45 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.724 1.21 . . . . 10.0 114.155 177.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -108.98 3.76 22.53 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.445 1.276 . . . . 10.0 114.445 -169.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 t -68.93 -7.69 37.32 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.614 0.968 . . . . 10.0 113.614 170.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 40.97 4.88 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 107.344 -2.302 . . . . 10.0 107.344 -167.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.263 18.8 tt -25.73 118.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 129.511 3.125 . . . . 10.0 117.007 -168.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.27 -54.57 3.17 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 127.036 2.255 . . . . 10.0 114.031 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -58.31 -23.74 57.48 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.091 1.357 . . . . 10.0 112.668 171.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.2 -17.82 21.64 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 115.76 1.763 . . . . 10.0 115.76 174.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -69.07 -26.05 64.75 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.3 0.955 . . . . 10.0 113.19 169.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -84.85 -11.09 56.41 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.688 1.595 . . . . 10.0 113.734 177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -56.41 -26.95 55.03 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.085 1.354 . . . . 10.0 114.204 -174.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.93 -13.84 57.75 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.977 1.275 . . . . 10.0 115.234 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.4 t -129.02 -21.49 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 125.277 1.431 . . . . 10.0 112.673 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.3 tttm -52.84 -19.99 2.93 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.929 0.891 . . . . 10.0 113.194 173.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -45.32 -47.24 13.19 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.77 1.228 . . . . 10.0 113.466 169.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.13 -38.4 75.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.121 0.969 . . . . 10.0 111.097 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -62.22 -38.7 90.2 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.611 -0.681 . . . . 10.0 111.904 171.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -66.63 -39.42 88.28 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.928 1.291 . . . . 10.0 112.161 174.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -58.88 -41.47 87.21 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 123.366 0.666 . . . . 10.0 111.426 170.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.7 tp -73.29 -39.95 64.92 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.396 0.887 . . . . 10.0 113.396 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.47 -32.12 73.57 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.48 0.582 . . . . 10.0 111.718 172.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.98 -37.33 84.03 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.394 -0.816 . . . . 10.0 111.697 169.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.567 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.74 -46.99 88.3 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 121.375 -0.828 . . . . 10.0 111.025 169.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -66.65 -25.33 66.52 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 125.363 1.465 . . . . 10.0 112.523 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.12 -36.72 34.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 120.115 1.325 . . . . 10.0 114.305 169.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -64.94 -32.29 73.93 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.667 1.121 . . . . 10.0 109.086 168.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.5 tp -72.13 -33.69 67.98 Favored 'General case' 0 C--O 1.211 -0.939 0 C-N-CA 124.177 0.991 . . . . 10.0 111.75 168.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.3 m -65.35 -38.99 91.76 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 119.359 -2.088 . . . . 10.0 110.956 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -60.49 -33.28 72.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.745 0.818 . . . . 10.0 112.875 174.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t-20 -150.4 92.09 4.04 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.188 1.395 . . . . 10.0 112.452 170.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -51.41 -18.35 5.4 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 124.923 3.749 . . . . 10.0 118.472 -170.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . 0.313 30.6 t -137.59 34.59 2.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.942 1.09 . . . . 10.0 113.942 169.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.23 126.31 91.1 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 104.648 -2.352 . . . . 10.0 104.648 167.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.16 -26.76 25.34 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.51 1.473 . . . . 10.0 115.723 -168.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.3 m -76.92 -41.29 44.04 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.117 1.326 . . . . 10.0 110.879 170.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.25 75.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 119.604 1.093 . . . . 10.0 111.916 170.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.46 -36.09 39.35 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 123.778 0.831 . . . . 10.0 110.98 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.24 95.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.84 0.856 . . . . 10.0 111.119 169.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -66.2 -53.74 33.69 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.51 1.524 . . . . 10.0 110.962 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -55.24 -43.65 74.79 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.161 -0.923 . . . . 10.0 112.998 171.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -64.03 -43.07 96.69 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 120.147 1.34 . . . . 10.0 112.181 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.9 ttp -64.36 -48.3 76.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.224 1.01 . . . . 10.0 112.295 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HB2' ' A' ' 39' ' ' ALA . 97.6 mt -68.52 -35.62 71.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.782 0.833 . . . . 10.0 110.206 178.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 36.0 ttm -69.07 -36.67 77.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 119.012 0.824 . . . . 10.0 112.72 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -56.84 -43.72 81.37 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.694 0.797 . . . . 10.0 111.184 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -69.52 -44.11 71.67 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.504 0.928 . . . . 10.0 113.504 174.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -58.99 -48.46 81.48 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.802 1.241 . . . . 10.0 112.23 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -69.44 -40.04 77.46 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.336 0.654 . . . . 10.0 111.177 -177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.87 -43.27 99.24 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.857 0.863 . . . . 10.0 112.031 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -63.51 -42.6 98.48 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 122.914 0.485 . . . . 10.0 112.145 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 59.8 mtp85 -60.98 -42.75 98.96 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.196 0.999 . . . . 10.0 112.615 173.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 m-80 -65.66 -38.14 88.5 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.968 0.729 . . . . 10.0 112.968 173.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.96 -40.68 78.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 118.658 0.663 . . . . 10.0 112.55 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.94 -47.91 81.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.582 1.153 . . . . 10.0 111.117 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.1 m -63.77 -36.95 85.58 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.502 0.721 . . . . 10.0 112.767 176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.3 m -71.14 -34.36 70.93 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.264 1.026 . . . . 10.0 112.908 176.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.76 78.67 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.133 0.879 . . . . 10.0 113.261 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.81 -22.65 29.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 126.029 1.732 . . . . 10.0 112.561 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -106.07 3.03 27.71 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.6 1.96 . . . . 10.0 113.307 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -135.17 10.21 3.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.815 1.646 . . . . 10.0 113.491 -172.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -50.01 -44.64 51.31 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.686 1.594 . . . . 10.0 113.843 -171.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -68.63 -33.02 73.3 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.48 0.918 . . . . 10.0 113.48 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -73.23 -37.23 66.46 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.623 0.769 . . . . 10.0 111.835 174.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.99 -44.46 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.051 0.94 . . . . 10.0 110.7 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -59.7 -39.83 85.89 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.349 1.06 . . . . 10.0 112.251 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.2 m -68.18 -4.54 14.25 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.225 1.41 . . . . 10.0 114.336 171.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.4 m -121.43 10.65 10.54 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.269 1.828 . . . . 10.0 113.293 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.09 -22.65 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 125.162 1.385 . . . . 10.0 112.298 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.3 tp -52.47 150.58 4.77 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.906 1.682 . . . . 10.0 113.127 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -53.94 145.51 16.28 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.262 1.425 . . . . 10.0 114.28 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -70.07 -14.95 62.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.947 1.299 . . . . 10.0 114.263 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -138.54 151.46 47.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.306 1.442 . . . . 10.0 111.534 -178.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -154.18 164.55 38.35 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.913 1.685 . . . . 10.0 110.652 -177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -70.72 162.35 29.22 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 175.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -143.2 159.97 41.33 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.479 1.511 . . . . 10.0 111.556 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.138 1.775 . . . . 10.0 110.907 176.689 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.3 mtm . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -154.94 175.93 13.17 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.122 1.369 . . . . 10.0 112.353 -176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -144.9 158.87 51.92 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 125.63 1.572 . . . . 10.0 111.532 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -72.59 158.08 51.46 Favored 'Trans proline' 0 CA--C 1.546 1.125 0 C-N-CA 122.711 2.274 . . . . 10.0 111.846 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -56.57 -32.27 89.45 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.443 3.429 . . . . 10.0 115.808 171.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 0.257 18.3 p 66.76 151.93 0.12 Allowed Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 127.933 2.493 . . . . 10.0 113.664 -169.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.24 144.4 39.07 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 124.833 3.689 . . . . 10.0 115.785 -174.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.9 tp -153.55 152.17 30.62 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.431 1.893 . . . . 10.0 110.105 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pp -137.01 0.29 2.36 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 115.763 1.764 . . . . 10.0 115.763 -175.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.95 149.25 23.1 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.264 1.426 . . . . 10.0 111.295 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -159.08 -44.77 0.06 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.469 1.507 . . . . 10.0 110.734 170.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -151.65 145.84 25.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.539 1.936 . . . . 10.0 109.453 169.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -145.93 -179.97 7.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.492 1.517 . . . . 10.0 111.624 -170.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -57.98 -15.54 9.36 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 115.792 1.775 . . . . 10.0 115.792 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.7 m -50.16 119.2 3.45 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.725 1.61 . . . . 10.0 112.266 174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.32 -40.16 2.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.869 1.223 . . . . 10.0 114.19 -177.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -57.03 -42.21 80.02 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.161 0.984 . . . . 10.0 112.363 172.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.1 tp -59.98 -38.03 81.38 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.71 1.204 . . . . 10.0 112.468 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -65.9 -37.25 85.61 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.279 1.032 . . . . 10.0 111.664 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -56.12 -34.33 62.22 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.661 1.6 . . . . 10.0 114.667 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 34.2 mm -56.55 -32.98 38.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.224 1.01 . . . . 10.0 112.166 175.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.47 92.02 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.458 1.028 . . . . 10.0 113.974 174.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.1 ttt-85 -82.16 -25.87 33.96 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.976 1.31 . . . . 10.0 112.631 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.78 64.71 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 115.423 1.638 . . . . 10.0 115.423 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -67.01 -9.37 38.27 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.82 1.044 . . . . 10.0 113.82 169.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -117.78 -43.81 2.76 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.961 2.104 . . . . 10.0 111.545 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.91 -35.47 71.1 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.708 0.803 . . . . 10.0 112.4 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.92 -6.48 31.3 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.483 1.516 . . . . 10.0 115.341 174.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -114.66 -34.64 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 CA-C-N 118.697 1.249 . . . . 10.0 111.794 173.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -57.4 -20.12 27.72 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.744 0.418 . . . . 10.0 110.672 168.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -43.02 -46.16 5.43 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.898 2.479 . . . . 10.0 113.92 168.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.87 -40.51 87.86 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.649 0.738 . . . . 10.0 110.777 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -65.25 -35.81 82.18 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.567 -0.708 . . . . 10.0 111.866 172.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -66.72 -38.12 86.05 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.941 0.896 . . . . 10.0 112.537 173.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -59.83 -39.81 86.33 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.84 0.856 . . . . 10.0 111.47 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.2 tp -72.45 -38.47 68.26 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.652 0.781 . . . . 10.0 113.033 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -65.99 -33.08 74.99 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 118.63 0.65 . . . . 10.0 111.994 169.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.03 -37.24 85.38 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.396 -0.815 . . . . 10.0 111.824 170.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.569 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.44 -48.1 83.21 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.458 -0.776 . . . . 10.0 110.691 169.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.05 -24.66 66.78 Favored 'General case' 0 C--O 1.222 -0.366 0 C-N-CA 125.383 1.473 . . . . 10.0 112.446 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.14 -36.78 34.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.656 1.354 . . . . 10.0 114.656 169.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -65.17 -32.68 74.48 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 120.091 1.314 . . . . 10.0 108.667 168.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 tp -71.42 -36.48 71.33 Favored 'General case' 0 C--O 1.209 -1.033 0 C-N-CA 123.892 0.877 . . . . 10.0 111.505 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.0 m -64.24 -37.41 87.38 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 119.316 -2.115 . . . . 10.0 110.984 175.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -59.4 -36.2 75.38 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.853 1.661 . . . . 10.0 112.57 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -151.54 92.2 3.72 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 125.241 1.416 . . . . 10.0 112.143 169.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -48.45 -26.19 8.47 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 124.879 3.72 . . . . 10.0 118.46 -169.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.5 p -129.94 28.02 5.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 115.973 1.842 . . . . 10.0 115.973 171.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.59 125.45 82.51 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 167.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.17 -26.86 25.21 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 C-N-CA 121.526 1.484 . . . . 10.0 115.547 -168.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.2 m -77.57 -40.53 42.03 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.098 1.317 . . . . 10.0 111.024 171.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -42.5 77.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 119.668 1.122 . . . . 10.0 111.811 169.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -36.06 43.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 123.883 0.873 . . . . 10.0 110.944 -177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.65 97.57 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.965 0.906 . . . . 10.0 111.009 169.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -65.54 -53.94 35.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.542 1.537 . . . . 10.0 110.902 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -55.3 -43.84 75.21 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 118.335 -0.84 . . . . 10.0 112.921 171.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.9 mm-40 -65.85 -39.64 90.96 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 120.236 1.38 . . . . 10.0 112.698 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 68.2 ttp -66.52 -47.46 72.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.456 1.103 . . . . 10.0 112.442 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.569 HD12 ' HB2' ' A' ' 39' ' ' ALA . 95.4 mt -68.83 -36.75 75.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 123.852 0.861 . . . . 10.0 110.058 177.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.3 ttm -69.2 -36.22 77.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 118.953 0.797 . . . . 10.0 112.837 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.8 t -57.34 -50.09 74.05 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.765 0.826 . . . . 10.0 110.437 170.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.88 -43.08 97.12 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.232 0.827 . . . . 10.0 113.232 175.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -58.78 -48.28 81.78 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 125.09 1.356 . . . . 10.0 112.239 177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -74.84 -38.55 61.98 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 122.634 0.374 . . . . 10.0 111.52 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tt -58.61 -50.42 73.89 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.023 1.329 . . . . 10.0 111.005 172.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -59.18 -47.71 84.29 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.274 0.63 . . . . 10.0 112.107 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -59.14 -46.23 88.89 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.882 0.873 . . . . 10.0 112.704 176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -61.14 -47.19 87.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.92 0.888 . . . . 10.0 112.669 175.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.82 75.89 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.418 0.525 . . . . 10.0 112.418 -177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.86 -44.46 94.12 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.738 1.215 . . . . 10.0 111.547 175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.9 m -65.17 -41.5 94.6 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.22 0.608 . . . . 10.0 112.196 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.2 m -71.27 -45.03 64.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.53 0.732 . . . . 10.0 112.652 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.03 97.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.132 0.973 . . . . 10.0 112.872 -176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.5 t -59.92 -26.67 36.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 125.134 1.373 . . . . 10.0 112.783 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -98.59 -0.96 42.09 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.136 1.375 . . . . 10.0 114.056 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.6 m -135.86 -9.02 2.1 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.246 1.573 . . . . 10.0 115.246 -171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.4 tpp -46.32 -46.04 17.91 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.044 1.498 . . . . 10.0 115.044 -169.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -62.59 -29.99 71.0 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.304 1.042 . . . . 10.0 113.698 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -85.55 -40.21 16.55 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.067 0.947 . . . . 10.0 111.992 174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mm -58.54 -35.43 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.986 0.914 . . . . 10.0 111.767 174.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -56.95 -16.98 7.96 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.897 1.279 . . . . 10.0 114.355 173.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 65.4 m -126.86 9.01 6.88 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.499 1.919 . . . . 10.0 113.104 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 t -152.12 31.09 0.55 Allowed 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.37 1.468 . . . . 10.0 112.311 -173.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 18.2 tt -57.7 147.33 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.346 1.459 . . . . 10.0 113.243 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.9 tp -145.97 143.17 29.33 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.112 1.765 . . . . 10.0 109.898 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.5 -5.91 4.72 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.939 1.089 . . . . 10.0 113.939 -174.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -70.27 132.19 45.33 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.02 0.928 . . . . 10.0 111.826 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -156.73 166.95 31.94 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.244 1.418 . . . . 10.0 111.33 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -73.64 39.51 0.1 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.338 1.855 . . . . 10.0 112.681 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.0 156.76 32.74 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.55 1.54 . . . . 10.0 113.286 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -149.25 152.45 35.97 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.096 1.359 . . . . 10.0 111.07 178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 . . . . . 0 C--O 1.252 1.193 0 C-N-CA 124.419 1.087 . . . . 10.0 113.278 172.198 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.5 p -150.15 175.55 11.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.481 1.512 . . . . 10.0 111.971 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -57.23 156.11 15.7 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 124.543 1.137 . . . . 10.0 113.571 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -71.22 160.51 48.73 Favored 'Trans proline' 0 CA--C 1.546 1.102 0 C-N-CA 122.774 2.316 . . . . 10.0 111.721 172.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.74 168.32 23.17 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 123.501 2.801 . . . . 10.0 112.491 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.2 p -134.32 153.04 79.13 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.275 1.43 . . . . 10.0 111.38 173.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -81.07 152.47 18.65 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 123.617 2.878 . . . . 10.0 113.252 -169.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -152.75 129.13 10.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.106 1.763 . . . . 10.0 108.99 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.4 tp -147.67 145.12 28.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.863 1.265 . . . . 10.0 110.896 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -136.81 -2.61 2.11 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.697 1.199 . . . . 10.0 114.215 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -68.88 -32.1 71.52 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 121.087 -1.008 . . . . 10.0 112.967 176.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -154.26 165.02 37.62 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.885 1.674 . . . . 10.0 111.541 171.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -142.51 -4.36 0.99 Allowed 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 124.654 1.181 . . . . 10.0 113.381 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 45.4 p-90 -129.49 6.52 5.24 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.213 1.405 . . . . 10.0 114.126 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 11.8 t -56.85 -28.83 62.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.425 1.09 . . . . 10.0 113.788 -177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -56.4 -41.42 87.86 Favored Glycine 0 CA--C 1.535 1.339 0 O-C-N 121.131 -0.981 . . . . 10.0 113.792 171.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -70.45 -37.58 74.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.935 0.894 . . . . 10.0 112.501 174.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.5 tp -63.07 -45.24 93.09 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.689 0.796 . . . . 10.0 111.954 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 95.7 m -67.04 -25.78 66.43 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.549 1.139 . . . . 10.0 112.485 171.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -51.19 -29.16 21.1 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 126.511 2.005 . . . . 10.0 115.907 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 tp -63.65 -16.29 18.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.489 1.116 . . . . 10.0 113.736 173.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.9 -44.08 8.63 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 126.179 1.847 . . . . 10.0 115.138 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -17.51 22.29 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 115.264 1.579 . . . . 10.0 115.264 177.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.53 -23.37 6.11 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.513 1.925 . . . . 10.0 113.346 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -71.28 -30.71 66.6 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.497 -0.752 . . . . 10.0 111.892 169.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.95 -3.78 14.16 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.319 1.448 . . . . 10.0 114.076 174.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -57.64 -20.98 36.95 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.696 1.739 . . . . 10.0 115.696 -171.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.59 11.57 30.4 Favored Glycine 0 N--CA 1.476 1.344 0 C-N-CA 124.713 1.149 . . . . 10.0 114.915 173.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.9 -4.47 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.059 1.344 . . . . 10.0 112.426 171.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -52.39 -24.63 8.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.337 1.455 . . . . 10.0 113.388 170.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.61 -40.34 96.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.391 1.476 . . . . 10.0 114.17 172.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.02 -36.63 35.53 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.555 1.542 . . . . 10.0 111.046 172.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -61.11 -38.26 85.68 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.453 -0.779 . . . . 10.0 111.251 176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -58.7 -46.7 86.71 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.763 2.025 . . . . 10.0 111.888 170.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -61.73 -40.64 95.8 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.103 0.561 . . . . 10.0 112.014 175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 tp -74.2 -39.19 63.3 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.234 0.827 . . . . 10.0 113.234 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -67.7 -30.96 70.6 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.441 0.564 . . . . 10.0 111.888 171.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.21 -37.42 83.6 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.914 0.779 . . . . 10.0 111.267 169.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.615 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.19 -47.13 87.23 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.469 -0.769 . . . . 10.0 110.705 169.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -66.08 -23.81 66.59 Favored 'General case' 0 C--O 1.222 -0.379 0 C-N-CA 125.05 1.34 . . . . 10.0 112.568 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.15 -38.72 30.83 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 120.048 1.295 . . . . 10.0 114.232 169.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -62.61 -34.6 77.35 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.942 1.246 . . . . 10.0 108.768 169.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.3 tp -69.39 -35.83 76.18 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 124.478 1.111 . . . . 10.0 111.962 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.5 m -63.45 -38.61 91.8 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 119.802 -1.811 . . . . 10.0 110.818 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -59.83 -32.74 70.95 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.984 0.735 . . . . 10.0 112.984 174.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -151.77 87.77 4.35 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 125.424 1.489 . . . . 10.0 111.958 174.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -47.06 -24.45 3.36 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.957 3.771 . . . . 10.0 119.284 -169.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.7 p -129.98 30.95 4.76 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 115.341 1.608 . . . . 10.0 115.341 171.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.25 125.04 84.71 Favored Pre-proline 0 N--CA 1.469 0.507 0 N-CA-C 105.571 -2.011 . . . . 10.0 105.571 168.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.06 -25.93 26.7 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 121.583 1.522 . . . . 10.0 115.598 -168.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -78.33 -41.17 34.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.066 1.303 . . . . 10.0 110.86 171.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.05 -41.9 75.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 119.402 1.001 . . . . 10.0 111.771 170.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.83 -35.18 38.71 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.939 0.895 . . . . 10.0 110.932 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.8 98.41 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.825 0.85 . . . . 10.0 111.013 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 t30 -65.09 -53.56 43.63 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 125.575 1.55 . . . . 10.0 110.806 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -54.27 -45.63 72.5 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 118.127 -0.939 . . . . 10.0 112.735 171.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 58.2 mm-40 -65.85 -37.08 85.25 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 120.41 1.459 . . . . 10.0 112.892 177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -69.18 -46.15 68.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.614 1.165 . . . . 10.0 112.696 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.615 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -68.88 -36.14 72.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.654 0.782 . . . . 10.0 109.809 176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.6 ttm -68.27 -33.97 75.34 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 121.557 -0.714 . . . . 10.0 112.677 175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.0 m -60.46 -47.2 87.13 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.424 0.69 . . . . 10.0 110.719 170.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.6 -45.27 91.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.398 0.679 . . . . 10.0 112.717 174.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -57.54 -48.52 79.08 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.05 1.34 . . . . 10.0 112.127 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -72.02 -39.03 69.47 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.033 0.533 . . . . 10.0 111.27 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.56 -47.34 84.27 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.767 1.227 . . . . 10.0 111.536 176.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -59.92 -44.75 94.12 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.926 0.49 . . . . 10.0 111.961 176.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -62.92 -42.03 99.66 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.103 0.961 . . . . 10.0 112.679 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -62.06 -40.18 94.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.545 0.738 . . . . 10.0 112.808 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.9 78.27 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 176.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.6 tm0? -61.72 -47.81 83.59 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.973 0.909 . . . . 10.0 111.068 171.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.4 m -62.56 -30.43 71.31 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.658 0.985 . . . . 10.0 113.658 174.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.3 t -71.94 -44.74 63.13 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.068 0.947 . . . . 10.0 111.994 173.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.89 77.76 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.254 1.022 . . . . 10.0 113.17 176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.47 -32.53 41.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.607 1.563 . . . . 10.0 112.751 173.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -94.76 4.73 53.47 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.297 1.439 . . . . 10.0 113.745 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.8 m -125.17 4.67 7.85 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.939 1.696 . . . . 10.0 112.895 -178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.0 ttt -56.44 -37.58 70.45 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 114.108 1.151 . . . . 10.0 114.108 -169.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' HA ' ' HE2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -65.96 -44.15 85.83 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.184 0.902 . . . . 10.0 111.429 177.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -63.64 -40.41 96.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.543 0.737 . . . . 10.0 111.749 176.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.9 -38.76 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.441 1.096 . . . . 10.0 111.337 175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.9 -39.68 90.83 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.21 -0.931 . . . . 10.0 112.397 174.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 73.0 m -67.49 -36.19 80.62 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.998 0.919 . . . . 10.0 113.155 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -157.02 118.0 3.66 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 10.0 110.341 173.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . 0.25 14.9 tt -77.72 42.22 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 1.005 0 C-N-CA 125.659 1.583 . . . . 10.0 113.815 -169.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.5 mt -133.15 138.37 46.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.793 2.037 . . . . 10.0 110.616 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.59 -33.9 61.09 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.728 1.211 . . . . 10.0 112.89 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -60.12 -22.94 63.43 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.392 1.477 . . . . 10.0 114.449 -179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -75.3 -30.59 60.41 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.813 1.042 . . . . 10.0 113.813 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -69.97 103.19 2.18 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.621 0.768 . . . . 10.0 111.236 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -154.18 162.56 41.1 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.183 1.393 . . . . 10.0 111.818 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -67.57 -24.42 65.51 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.991 1.316 . . . . 10.0 113.873 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.252 1.201 0 C-N-CA 126.124 1.77 . . . . 10.0 111.691 -175.48 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 tmt? . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 109.945 -0.391 . . . . 10.0 109.945 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -153.03 174.88 13.61 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.694 1.598 . . . . 10.0 111.468 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -144.83 156.56 55.62 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 124.529 1.132 . . . . 10.0 112.87 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.36 167.88 24.91 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 C-N-CA 123.708 2.938 . . . . 10.0 112.26 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -52.51 169.15 0.35 Allowed 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.823 3.682 . . . . 10.0 114.464 169.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 44.8 p -130.59 160.73 64.78 Favored Pre-proline 0 N--CA 1.477 0.922 0 C-N-CA 124.454 1.102 . . . . 10.0 113.067 -178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.74 -4.29 1.87 Allowed 'Trans proline' 0 CA--C 1.544 0.995 1 C-N-CA 125.383 4.055 . . . . 10.0 116.847 176.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.18 -22.09 64.4 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.503 1.521 . . . . 10.0 114.207 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -60.42 105.53 0.44 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.526 1.53 . . . . 10.0 111.564 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.45 22.92 1.65 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.14 1.163 . . . . 10.0 114.14 -169.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.06 -13.52 7.09 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.455 1.65 . . . . 10.0 115.455 -176.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -54.96 -29.4 56.72 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.811 1.644 . . . . 10.0 113.517 171.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -77.07 47.49 0.54 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.506 1.922 . . . . 10.0 113.038 -176.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -135.86 -16.19 1.74 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.085 1.754 . . . . 10.0 113.21 176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.4 t -53.88 -29.99 43.96 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.684 1.193 . . . . 10.0 113.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.8 -29.18 25.71 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.589 1.566 . . . . 10.0 115.698 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.52 -34.83 73.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.105 0.962 . . . . 10.0 112.995 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.1 mp -77.17 -24.29 51.5 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.167 0.987 . . . . 10.0 112.358 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 m -57.85 -28.07 63.8 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 120.045 1.293 . . . . 10.0 111.835 171.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.17 -21.29 24.84 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 126.214 1.864 . . . . 10.0 116.208 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.8 tt -127.82 -30.07 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.023 1.329 . . . . 10.0 113.618 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.45 -35.42 61.34 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.928 1.728 . . . . 10.0 114.635 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -52.09 -41.61 62.56 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.954 1.301 . . . . 10.0 113.037 173.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.95 -19.43 34.66 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.503 0.927 . . . . 10.0 113.503 -170.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -83.46 9.01 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.261 0.837 . . . . 10.0 113.261 169.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -125.04 12.78 8.37 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.592 1.957 . . . . 10.0 111.905 -173.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -50.38 -21.65 1.52 Allowed 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 117.657 2.466 . . . . 10.0 117.657 -169.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.66 -9.71 71.38 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 124.517 1.056 . . . . 10.0 115.337 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -125.28 -7.49 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.938 2.095 . . . . 10.0 111.607 175.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -53.2 -24.28 10.58 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.387 1.875 . . . . 10.0 112.364 169.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -57.17 -39.78 75.97 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.096 1.758 . . . . 10.0 113.822 169.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -36.55 35.38 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.292 1.437 . . . . 10.0 110.677 173.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.61 -32.33 73.32 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.356 -0.84 . . . . 10.0 112.017 174.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -67.1 -42.75 84.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.608 1.563 . . . . 10.0 111.777 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -60.02 -42.27 93.98 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.62 0.768 . . . . 10.0 111.494 172.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.6 tp -72.4 -38.35 68.45 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.382 0.882 . . . . 10.0 113.382 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -66.22 -33.36 75.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.952 0.901 . . . . 10.0 111.759 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -66.49 -39.01 88.49 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.53 0.732 . . . . 10.0 111.584 169.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.99 -47.77 83.97 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.669 -0.644 . . . . 10.0 110.853 169.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -66.82 -25.66 66.55 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.739 1.616 . . . . 10.0 112.638 -178.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.29 -36.98 33.64 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.889 1.222 . . . . 10.0 114.266 169.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -63.87 -33.34 75.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.831 1.196 . . . . 10.0 108.767 168.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 tp -70.9 -36.2 72.62 Favored 'General case' 0 C--O 1.21 -0.995 0 C-N-CA 124.315 1.046 . . . . 10.0 111.923 169.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 m -63.45 -38.18 90.17 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 119.528 -1.983 . . . . 10.0 111.058 177.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -61.61 -32.99 73.14 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.172 0.989 . . . . 10.0 112.974 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -150.88 90.89 4.1 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 125.441 1.497 . . . . 10.0 112.154 169.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -48.78 -24.15 6.62 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 124.773 3.649 . . . . 10.0 118.38 -169.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.0 p -130.49 27.91 4.97 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 116.317 1.969 . . . . 10.0 116.317 171.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.74 124.98 78.84 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 105.832 -1.914 . . . . 10.0 105.832 167.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.73 -25.3 24.28 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.62 1.547 . . . . 10.0 115.545 -168.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.2 m -77.74 -41.8 36.42 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 120.08 1.309 . . . . 10.0 110.808 170.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.5 -42.35 74.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 119.472 1.033 . . . . 10.0 111.881 170.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -35.27 38.86 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 124.001 0.92 . . . . 10.0 111.107 -177.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.61 -42.44 98.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.809 0.844 . . . . 10.0 111.026 169.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -65.48 -53.67 39.21 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.567 1.547 . . . . 10.0 110.58 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -54.27 -44.9 72.26 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-O 118.064 -0.969 . . . . 10.0 112.854 171.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -64.93 -39.73 93.95 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.397 1.453 . . . . 10.0 112.688 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -66.66 -47.7 71.7 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.494 1.118 . . . . 10.0 112.085 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.5 mt -69.01 -36.06 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 123.839 0.855 . . . . 10.0 110.256 177.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.6 ttm -68.54 -33.32 73.9 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 121.502 -0.749 . . . . 10.0 112.374 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -58.7 -49.03 79.08 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.501 0.72 . . . . 10.0 110.607 169.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.31 -44.29 95.38 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.46 0.911 . . . . 10.0 113.46 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -58.82 -48.56 80.89 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.866 1.266 . . . . 10.0 112.191 178.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -75.52 -40.52 56.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.307 0.643 . . . . 10.0 111.584 -174.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.17 -47.75 84.17 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.226 1.011 . . . . 10.0 111.777 177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.68 -44.52 96.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.128 0.571 . . . . 10.0 112.407 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -66.34 -43.4 86.21 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.099 0.96 . . . . 10.0 112.43 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.55 -42.06 87.02 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.432 1.093 . . . . 10.0 112.604 172.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.67 -42.08 82.69 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.734 0.642 . . . . 10.0 112.734 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -48.19 80.78 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.553 0.615 . . . . 10.0 111.779 174.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.3 m -63.55 -28.21 69.79 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 68.4 m -71.55 -49.16 43.45 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.452 -0.78 . . . . 10.0 111.451 171.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.82 -40.1 79.2 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.637 0.775 . . . . 10.0 113.073 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.0 t -60.28 -27.84 40.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.979 1.711 . . . . 10.0 113.213 175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -91.66 -38.64 12.31 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.831 0.853 . . . . 10.0 112.836 173.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -69.31 -22.24 63.8 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.291 1.219 . . . . 10.0 114.291 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -30.81 32.63 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -67.15 -26.2 66.55 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 114.044 1.127 . . . . 10.0 114.044 177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.51 -31.22 69.34 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.583 -0.698 . . . . 10.0 112.035 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.7 mm -71.14 -40.1 74.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.208 1.003 . . . . 10.0 110.927 174.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.34 -35.46 81.04 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.737 0.815 . . . . 10.0 112.819 174.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.3 m -61.26 -17.61 54.32 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.55 1.315 . . . . 10.0 114.55 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -61.97 -14.0 30.82 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 174.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.6 tp -61.47 -21.32 24.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.357 1.063 . . . . 10.0 113.814 175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 91.1 mt -73.77 18.66 0.13 Allowed 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 126.549 1.94 . . . . 10.0 114.91 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -59.06 -34.73 72.29 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.296 1.439 . . . . 10.0 113.945 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -152.1 152.66 32.63 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.619 1.168 . . . . 10.0 112.135 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -153.18 131.77 12.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.197 1.399 . . . . 10.0 110.876 172.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.534 ' CG ' ' H ' ' A' ' 90' ' ' HIS . 21.4 t-80 -155.09 -170.1 3.38 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.04 1.736 . . . . 10.0 110.645 176.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.534 ' H ' ' CG ' ' A' ' 89' ' ' HIS . 26.9 t-80 -57.3 -8.03 0.68 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 127.181 2.193 . . . . 10.0 115.414 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -57.48 -25.41 59.71 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.476 1.288 . . . . 10.0 114.476 171.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 126.457 1.903 . . . . 10.0 112.547 -171.6 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 tpt . . . . . 0 N--CA 1.486 1.363 0 N-CA-C 110.235 -0.283 . . . . 10.0 110.235 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -157.7 -42.25 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.864 1.266 . . . . 10.0 111.513 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -59.89 161.7 11.41 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 125.691 1.596 . . . . 10.0 112.602 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -68.8 154.2 71.58 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.122 1.882 . . . . 10.0 111.197 169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -52.18 151.59 16.69 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 124.224 3.283 . . . . 10.0 114.601 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -141.83 157.91 63.55 Favored Pre-proline 0 N--CA 1.479 0.976 0 C-N-CA 125.717 1.607 . . . . 10.0 111.702 176.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.39 148.36 42.67 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.555 3.503 . . . . 10.0 114.333 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -149.95 99.67 2.86 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.284 1.434 . . . . 10.0 110.226 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -57.97 -35.05 70.63 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.784 0.834 . . . . 10.0 113.101 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.66 -10.79 5.76 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 114.962 1.467 . . . . 10.0 114.962 174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -130.65 19.7 5.14 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.36 1.864 . . . . 10.0 111.736 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -139.51 -31.86 0.67 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.843 1.257 . . . . 10.0 113.775 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.42 -10.43 59.73 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.217 -0.927 . . . . 10.0 113.375 170.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.6 m-90 -142.49 158.79 43.31 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.054 1.742 . . . . 10.0 111.548 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.2 p -140.37 6.25 2.1 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.16 1.384 . . . . 10.0 114.38 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.59 -38.97 0.14 Allowed Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.257 0.932 . . . . 10.0 114.46 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -57.11 -33.34 67.25 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.777 1.029 . . . . 10.0 113.777 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.7 tp -60.69 -28.31 68.52 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.694 1.198 . . . . 10.0 113.214 174.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.2 m -81.34 -38.23 27.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.955 0.902 . . . . 10.0 111.425 171.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.18 -42.95 99.73 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 124.569 1.081 . . . . 10.0 113.989 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.7 tt -76.44 -2.97 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.16 1.384 . . . . 10.0 113.084 172.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.42 -39.99 15.27 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.827 1.679 . . . . 10.0 115.406 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -56.52 -35.69 68.35 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.273 1.429 . . . . 10.0 113.419 175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -92.65 -29.81 15.92 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.555 1.542 . . . . 10.0 113.166 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -66.17 -29.43 69.72 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.77 0.655 . . . . 10.0 112.77 176.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -54.04 -34.64 60.53 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.919 1.288 . . . . 10.0 113.652 174.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -68.16 -18.14 64.53 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.996 0.918 . . . . 10.0 113.471 174.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.77 -33.58 30.0 Favored Glycine 0 CA--C 1.534 1.235 0 C-N-CA 124.697 1.141 . . . . 10.0 113.135 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.13 -17.38 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 118.828 1.314 . . . . 10.0 112.878 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -54.23 -20.65 7.33 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.806 0.842 . . . . 10.0 112.771 169.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -53.86 -38.11 64.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.5 1.52 . . . . 10.0 113.417 169.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.42 -42.2 96.17 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.276 1.03 . . . . 10.0 110.787 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -35.88 81.0 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 121.524 -0.735 . . . . 10.0 111.619 172.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -68.5 -38.59 81.09 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.166 0.986 . . . . 10.0 112.724 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.0 -41.11 91.38 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.892 0.877 . . . . 10.0 111.261 171.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.0 tp -70.53 -38.52 74.23 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.626 0.602 . . . . 10.0 112.626 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -67.29 -33.39 75.19 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.749 0.704 . . . . 10.0 112.409 171.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -63.68 -43.67 95.97 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.502 -0.749 . . . . 10.0 110.833 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.23 -45.72 87.2 Favored 'General case' 0 C--N 1.34 0.163 0 O-C-N 122.084 -0.385 . . . . 10.0 111.259 173.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -67.4 -27.31 66.98 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 125.245 1.418 . . . . 10.0 112.596 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.25 -36.39 34.67 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 114.405 1.261 . . . . 10.0 114.405 169.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -63.45 -34.71 78.36 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.644 1.111 . . . . 10.0 108.877 169.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 43' ' ' LEU . 8.6 tp -71.79 -34.69 69.61 Favored 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 124.932 1.293 . . . . 10.0 112.099 169.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.9 m -63.87 -38.72 92.12 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 119.427 -2.046 . . . . 10.0 111.006 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -61.22 -32.02 71.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.824 0.85 . . . . 10.0 112.975 174.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -151.46 90.34 4.02 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.457 1.503 . . . . 10.0 112.261 170.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -49.33 -24.28 8.29 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 124.677 3.584 . . . . 10.0 118.11 -169.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.5 p -130.16 29.33 4.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 116.126 1.898 . . . . 10.0 116.126 171.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.88 124.61 80.5 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 105.739 -1.948 . . . . 10.0 105.739 167.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -69.21 -27.42 29.1 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 121.811 1.674 . . . . 10.0 115.573 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.7 m -77.8 -41.11 38.36 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.732 1.151 . . . . 10.0 110.985 171.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.28 -41.46 75.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.421 1.01 . . . . 10.0 111.88 170.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.72 -35.74 38.48 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.039 0.936 . . . . 10.0 111.088 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.4 -41.95 97.96 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.871 0.868 . . . . 10.0 110.924 169.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.59 -53.86 35.88 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 125.365 1.466 . . . . 10.0 110.921 179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.0 -44.87 71.23 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.974 0.91 . . . . 10.0 112.74 171.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -64.76 -41.03 96.19 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.131 1.332 . . . . 10.0 112.681 176.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.8 tmm? -66.52 -45.24 80.17 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.412 1.085 . . . . 10.0 112.245 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.468 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.6 mt -71.44 -36.07 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.741 0.816 . . . . 10.0 110.077 177.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.8 ttm -68.13 -34.44 76.36 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 118.946 0.794 . . . . 10.0 112.831 176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 t -57.88 -45.73 85.94 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.073 0.949 . . . . 10.0 111.128 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.47 -42.83 74.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.71 0.804 . . . . 10.0 113.106 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -57.96 -47.22 83.57 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.32 1.448 . . . . 10.0 112.109 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -65.53 -40.86 93.41 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.424 0.689 . . . . 10.0 111.432 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 65.5 tp -61.63 -47.86 83.49 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.53 1.132 . . . . 10.0 112.509 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -66.18 -36.63 83.58 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.882 0.697 . . . . 10.0 112.882 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 38.7 mtp-105 -68.29 -34.41 76.11 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.448 0.907 . . . . 10.0 113.448 173.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.03 -35.53 75.29 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.035 0.834 . . . . 10.0 112.562 170.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -77.24 -32.98 56.14 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.42 -37.95 82.5 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.118 -0.989 . . . . 10.0 111.975 173.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 67.3 m -57.52 -28.11 63.19 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.772 1.026 . . . . 10.0 113.772 174.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.7 m -65.2 -21.89 66.82 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.106 -0.996 . . . . 10.0 113.589 174.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -36.23 59.01 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.215 0.916 . . . . 10.0 112.484 171.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.02 -30.5 49.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 125.685 1.594 . . . . 10.0 111.955 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -56.83 -15.89 5.6 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.917 1.287 . . . . 10.0 114.389 170.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.7 m -118.01 11.43 13.37 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.115 1.766 . . . . 10.0 112.965 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 58.9 tpp -54.46 -36.38 64.02 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.863 -1.148 . . . . 10.0 113.243 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -66.0 -27.92 68.49 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.884 1.068 . . . . 10.0 113.884 176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.35 -35.51 71.19 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.958 0.799 . . . . 10.0 111.679 172.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.47 -40.33 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.979 0.912 . . . . 10.0 111.211 172.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.98 -35.39 78.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.653 1.181 . . . . 10.0 112.771 174.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 68.9 m -63.63 -17.32 62.78 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.048 1.129 . . . . 10.0 114.048 176.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 m -75.77 10.11 1.97 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.96 1.304 . . . . 10.0 114.186 174.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.7 tt -47.07 -30.48 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.805 2.042 . . . . 10.0 116.396 -174.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.34 -8.12 43.4 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.854 1.427 . . . . 10.0 114.854 175.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -139.38 -161.21 1.16 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 128.203 2.601 . . . . 10.0 109.672 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -56.65 133.15 53.58 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.387 -1.445 . . . . 10.0 111.561 169.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -155.79 178.42 10.28 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.322 1.449 . . . . 10.0 111.802 -173.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -144.36 160.75 40.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.728 1.611 . . . . 10.0 110.101 174.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -147.65 134.76 20.41 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.869 1.268 . . . . 10.0 110.764 -175.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.79 127.88 34.15 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.496 1.119 . . . . 10.0 112.482 175.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 125.49 1.516 . . . . 10.0 112.763 -177.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.357 0 N-CA-C 110.123 -0.325 . . . . 10.0 110.123 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -64.99 140.3 58.85 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.088 0.955 . . . . 10.0 112.168 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -68.4 156.04 91.26 Favored Pre-proline 0 CA--C 1.551 1.008 0 C-N-CA 123.205 0.602 . . . . 10.0 112.155 171.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.2 159.58 46.97 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.83 2.354 . . . . 10.0 111.404 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.32 159.52 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.113 2.542 . . . . 10.0 112.256 174.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.9 p -139.89 158.45 67.52 Favored Pre-proline 0 N--CA 1.474 0.771 0 C-N-CA 125.423 1.489 . . . . 10.0 111.578 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -53.7 157.84 9.28 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 124.838 3.692 . . . . 10.0 115.04 -179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 90.6 mt -121.29 33.94 5.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.099 1.76 . . . . 10.0 111.321 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.7 tp -63.07 -17.18 61.98 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.735 1.614 . . . . 10.0 114.507 -172.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -148.3 161.39 41.62 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.538 1.535 . . . . 10.0 111.634 172.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -59.48 -25.63 64.59 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.456 1.103 . . . . 10.0 113.892 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -59.26 -19.1 43.05 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.042 1.337 . . . . 10.0 113.736 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -92.65 -4.69 52.88 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.939 1.296 . . . . 10.0 113.295 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.6 t90 -128.82 -2.12 5.31 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.344 1.458 . . . . 10.0 113.764 -171.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.0 p -54.29 -26.17 27.78 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.164 1.542 . . . . 10.0 115.164 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.87 -28.88 74.0 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.665 1.126 . . . . 10.0 114.838 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -86.62 -33.71 20.07 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.57 1.148 . . . . 10.0 112.15 171.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 tp -57.53 -20.21 30.15 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.573 1.149 . . . . 10.0 113.808 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.3 t -45.14 -33.79 2.38 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 128.266 2.626 . . . . 10.0 116.1 171.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -172.4 -46.95 0.04 OUTLIER Glycine 0 N--CA 1.474 1.189 0 C-N-CA 124.734 1.159 . . . . 10.0 112.692 -170.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.0 mm -55.78 -32.64 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 CA-C-N 117.887 0.844 . . . . 10.0 108.735 168.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -37.86 -31.95 0.1 Allowed Glycine 0 CA--C 1.536 1.372 0 C-N-CA 129.891 3.615 . . . . 10.0 116.714 168.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -118.75 6.24 11.53 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.449 1.5 . . . . 10.0 114.983 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.48 -13.61 61.87 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.803 -1.186 . . . . 10.0 112.994 169.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -79.51 5.55 12.63 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 124.31 1.044 . . . . 10.0 112.339 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -134.1 33.84 3.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 128.628 2.771 . . . . 10.0 109.72 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -53.16 -21.73 5.45 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 116.85 2.167 . . . . 10.0 116.85 -169.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -98.12 1.74 59.35 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 124.719 1.152 . . . . 10.0 115.182 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.7 t -131.39 -8.41 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 C-N-CA 125.831 1.652 . . . . 10.0 112.768 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -50.47 -30.1 11.95 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.054 -1.029 . . . . 10.0 112.545 169.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -57.15 -55.4 35.23 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.079 1.752 . . . . 10.0 113.093 171.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -36.24 78.22 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.917 1.287 . . . . 10.0 110.378 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -64.92 -35.49 81.34 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.599 -0.688 . . . . 10.0 112.353 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.66 -38.14 73.77 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.844 1.258 . . . . 10.0 112.547 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -58.78 -42.16 88.35 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 118.79 0.723 . . . . 10.0 111.194 169.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -71.77 -37.88 70.43 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.166 0.987 . . . . 10.0 113.183 178.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -64.89 -34.96 79.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.97 0.908 . . . . 10.0 111.615 171.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -66.36 -39.61 89.24 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.609 -0.682 . . . . 10.0 111.809 170.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.602 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -58.02 -46.17 85.73 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.512 0.596 . . . . 10.0 111.114 169.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -65.79 -25.12 67.1 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.362 1.465 . . . . 10.0 112.07 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.28 -36.59 34.22 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.903 1.229 . . . . 10.0 114.039 169.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -62.13 -35.8 79.84 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 119.647 1.112 . . . . 10.0 108.582 169.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 tp -70.28 -36.21 74.24 Favored 'General case' 0 C--O 1.21 -0.986 0 C-N-CA 125.184 1.393 . . . . 10.0 112.435 169.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.2 m -63.29 -37.94 89.23 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 119.558 -1.964 . . . . 10.0 110.927 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.61 -31.78 71.87 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 174.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -151.68 90.11 3.99 Favored Pre-proline 0 CA--C 1.548 0.871 0 C-N-CA 125.54 1.536 . . . . 10.0 112.04 170.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -48.52 -24.77 6.82 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 124.829 3.686 . . . . 10.0 118.456 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -129.8 27.9 5.16 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 116.184 1.92 . . . . 10.0 116.184 171.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.1 124.72 78.7 Favored Pre-proline 0 CA--C 1.537 0.465 0 N-CA-C 105.842 -1.91 . . . . 10.0 105.842 167.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.37 -24.53 26.79 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 121.76 1.64 . . . . 10.0 115.493 -168.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 m -80.35 -39.77 27.92 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 119.904 1.229 . . . . 10.0 110.85 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.28 -42.05 80.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 119.471 1.032 . . . . 10.0 111.539 169.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.84 -35.17 44.38 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.035 0.934 . . . . 10.0 110.824 -178.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.4 98.56 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.597 0.759 . . . . 10.0 111.013 169.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -65.09 -54.13 34.69 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 125.446 1.498 . . . . 10.0 110.83 179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.75 -45.35 74.16 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-O 117.918 -1.039 . . . . 10.0 112.67 171.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -65.25 -37.69 88.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 120.639 1.563 . . . . 10.0 112.743 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.7 tmm? -68.31 -48.63 64.41 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.604 1.162 . . . . 10.0 112.19 177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.602 HD12 ' HB2' ' A' ' 39' ' ' ALA . 87.6 mt -66.32 -35.48 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 123.624 0.77 . . . . 10.0 109.825 176.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.1 ttm -69.46 -34.67 74.72 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.915 0.78 . . . . 10.0 112.998 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 66.9 m -61.6 -44.31 97.23 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.794 0.838 . . . . 10.0 110.941 171.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.23 -45.01 82.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.251 0.62 . . . . 10.0 112.665 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -56.78 -51.39 69.1 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 124.966 1.306 . . . . 10.0 111.826 177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -70.63 -40.52 73.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 122.858 0.463 . . . . 10.0 111.38 -172.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.9 tp -64.91 -48.52 73.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.869 0.867 . . . . 10.0 112.138 176.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -66.74 -40.28 88.26 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.931 0.492 . . . . 10.0 112.086 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -63.66 -43.5 96.56 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.994 0.918 . . . . 10.0 112.133 173.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -57.4 -44.69 84.73 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.294 0.952 . . . . 10.0 112.322 172.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.67 91.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -66.1 -41.29 90.84 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.764 0.826 . . . . 10.0 112.326 172.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 m -62.06 -33.22 74.0 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.536 1.135 . . . . 10.0 113.126 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.5 m -59.79 -28.95 67.86 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.517 1.053 . . . . 10.0 113.824 175.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.91 -43.76 17.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.276 0.631 . . . . 10.0 112.382 172.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.0 t -64.29 -29.03 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.362 1.465 . . . . 10.0 112.469 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -51.92 -33.7 38.36 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.597 1.559 . . . . 10.0 112.831 170.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.2 t -57.52 -30.62 65.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.309 1.044 . . . . 10.0 113.228 174.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 25.9 mmt -96.28 -38.7 9.99 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.723 1.209 . . . . 10.0 112.311 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -62.97 -31.97 73.2 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.322 -0.861 . . . . 10.0 113.215 175.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -58.82 -27.85 65.48 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.959 0.904 . . . . 10.0 113.169 171.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.3 mt -79.83 -54.08 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 124.209 1.004 . . . . 10.0 109.864 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.68 -39.67 94.89 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.207 1.188 . . . . 10.0 114.207 -171.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.4 m -69.09 -3.48 13.44 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.663 1.357 . . . . 10.0 114.663 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.5 p -67.43 -15.98 63.97 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.054 1.131 . . . . 10.0 114.054 169.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 tp -61.3 151.13 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 125.216 1.406 . . . . 10.0 112.777 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.13 73.04 1.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.525 1.13 . . . . 10.0 110.797 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -131.9 1.21 3.93 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.586 1.154 . . . . 10.0 113.924 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -136.59 15.78 3.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.286 1.434 . . . . 10.0 113.265 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -63.9 -23.62 67.42 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.817 1.247 . . . . 10.0 113.296 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -134.8 155.68 50.19 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.038 1.735 . . . . 10.0 110.465 178.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -84.6 -1.76 56.44 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.071 1.138 . . . . 10.0 114.071 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -148.28 158.48 44.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.174 1.79 . . . . 10.0 110.337 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.109 1.363 . . . . 10.0 111.994 -170.376 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.256 -0.275 . . . . 10.0 110.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -143.42 160.94 39.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.198 1.399 . . . . 10.0 111.759 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -62.67 152.27 82.01 Favored Pre-proline 0 CA--C 1.551 0.988 0 C-N-CA 123.736 0.814 . . . . 10.0 112.986 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.56 152.53 33.28 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 123.319 2.679 . . . . 10.0 112.659 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.07 159.71 51.48 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.15 2.567 . . . . 10.0 113.089 176.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.7 p -84.23 160.31 57.55 Favored Pre-proline 0 N--CA 1.469 0.485 0 C-N-CA 123.327 0.651 . . . . 10.0 110.101 168.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -54.26 -28.26 51.56 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 124.568 3.512 . . . . 10.0 114.501 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.08 -15.28 63.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.342 1.457 . . . . 10.0 113.903 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.7 mt -118.68 -31.91 4.71 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.141 1.776 . . . . 10.0 112.127 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.29 -11.72 58.27 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.265 1.426 . . . . 10.0 113.944 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.04 -30.31 25.06 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.928 1.691 . . . . 10.0 115.107 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -57.0 -23.71 48.15 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.15 1.38 . . . . 10.0 114.19 174.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -70.71 -18.47 62.8 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.938 -1.101 . . . . 10.0 113.445 176.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -140.24 16.87 2.42 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.733 1.213 . . . . 10.0 114.211 -173.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 72.9 p -68.41 47.91 0.06 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 127.961 2.504 . . . . 10.0 115.192 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.19 -39.21 0.02 OUTLIER Glycine 0 CA--C 1.533 1.166 0 C-N-CA 127.038 2.256 . . . . 10.0 112.192 175.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -69.27 -26.18 64.63 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.559 1.143 . . . . 10.0 113.948 177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 67.8 mt -113.73 -8.74 13.21 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.066 1.346 . . . . 10.0 113.696 -177.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.6 m -57.21 -22.33 39.99 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.619 1.568 . . . . 10.0 114.197 -176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -49.28 -26.91 7.09 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.655 1.598 . . . . 10.0 115.2 169.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 10.2 tp -51.01 -28.67 6.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.644 1.578 . . . . 10.0 113.62 172.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.21 54.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 125.596 1.569 . . . . 10.0 115.417 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -91.33 -16.99 26.62 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 114.287 1.217 . . . . 10.0 114.287 175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.73 -14.89 63.01 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 114.308 1.225 . . . . 10.0 114.308 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -70.28 -0.6 8.33 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 112.711 0.634 . . . . 10.0 112.711 168.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -131.59 -64.59 0.79 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.715 2.006 . . . . 10.0 110.97 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -63.48 -24.73 67.95 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.22 1.008 . . . . 10.0 113.033 178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.78 1.77 68.9 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.374 1.464 . . . . 10.0 114.212 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 t -125.22 -20.27 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 118.521 1.16 . . . . 10.0 112.84 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -53.39 -32.7 50.67 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.852 0.861 . . . . 10.0 110.344 168.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -49.59 -42.18 43.94 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 128.344 2.658 . . . . 10.0 114.72 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -43.67 85.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.897 1.279 . . . . 10.0 110.413 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -66.78 -40.04 88.02 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.192 0.597 . . . . 10.0 111.752 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -62.27 -42.06 99.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.035 0.934 . . . . 10.0 111.949 172.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.77 -41.24 95.11 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.117 0.967 . . . . 10.0 112.077 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.9 tp -73.18 -39.3 65.72 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -67.71 -34.55 77.08 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.418 0.554 . . . . 10.0 111.815 172.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.3 -37.33 85.16 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.29 -0.881 . . . . 10.0 112.058 170.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -59.51 -47.99 83.4 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 121.585 -0.697 . . . . 10.0 110.506 170.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -65.95 -26.52 67.61 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 125.516 1.527 . . . . 10.0 112.609 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.05 -36.96 34.95 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 114.756 1.391 . . . . 10.0 114.756 170.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -64.15 -33.78 76.56 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 120.041 1.291 . . . . 10.0 108.713 169.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.7 tp -70.25 -35.85 74.09 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 124.212 1.005 . . . . 10.0 111.833 169.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 m -64.12 -38.72 92.08 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 119.39 -2.069 . . . . 10.0 111.036 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -61.82 -31.73 71.99 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.159 0.984 . . . . 10.0 112.908 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -151.36 90.09 4.09 Favored Pre-proline 0 CA--C 1.549 0.908 0 C-N-CA 125.573 1.549 . . . . 10.0 112.215 170.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -49.22 -24.09 7.67 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 124.573 3.515 . . . . 10.0 118.445 -169.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 82.9 p -130.14 27.89 5.07 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 116.167 1.914 . . . . 10.0 116.167 171.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.58 124.54 76.25 Favored Pre-proline 0 N--CA 1.468 0.449 0 N-CA-C 105.94 -1.874 . . . . 10.0 105.94 167.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 -27.42 25.48 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 121.598 1.532 . . . . 10.0 115.65 -168.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.4 m -77.33 -40.96 42.28 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.11 1.323 . . . . 10.0 110.788 171.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.81 -42.6 75.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 119.442 1.019 . . . . 10.0 111.76 170.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.93 -36.54 41.62 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.935 0.894 . . . . 10.0 111.112 -177.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.91 96.73 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.031 0.933 . . . . 10.0 111.246 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -66.08 -53.52 37.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.45 1.5 . . . . 10.0 110.928 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.29 -44.84 72.27 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 118.248 -0.882 . . . . 10.0 112.777 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -64.18 -41.01 97.29 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 120.181 1.355 . . . . 10.0 112.714 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 64.2 ttp -66.34 -46.2 77.61 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.172 0.989 . . . . 10.0 112.41 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.474 HD12 ' HB2' ' A' ' 39' ' ' ALA . 90.5 mt -70.52 -35.7 62.84 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.793 0.837 . . . . 10.0 110.009 178.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttm -69.14 -35.22 76.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.928 0.785 . . . . 10.0 112.868 176.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.0 m -58.71 -40.73 84.55 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.075 0.95 . . . . 10.0 111.464 170.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.45 -45.18 63.3 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.584 0.753 . . . . 10.0 112.666 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.25 -46.67 79.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.874 1.27 . . . . 10.0 112.653 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -66.54 -38.16 86.55 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 122.994 0.518 . . . . 10.0 111.705 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.83 -47.48 77.85 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.083 1.353 . . . . 10.0 111.644 176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -63.18 -38.11 89.86 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.604 0.594 . . . . 10.0 112.604 176.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -62.06 -42.32 99.07 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.659 0.784 . . . . 10.0 112.852 171.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.91 -41.66 98.17 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 119.043 0.838 . . . . 10.0 112.875 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.64 87.8 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -63.7 -40.74 97.53 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.689 0.795 . . . . 10.0 112.267 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 71.1 m -60.52 -35.94 77.19 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.047 0.939 . . . . 10.0 112.601 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.5 m -65.17 -23.71 67.18 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 175.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.42 -32.71 16.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.962 0.905 . . . . 10.0 112.873 173.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.5 -33.03 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.142 1.377 . . . . 10.0 112.011 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -51.35 -21.91 2.54 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.539 1.536 . . . . 10.0 114.949 170.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.0 m -124.04 -35.69 2.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.578 1.551 . . . . 10.0 112.766 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 26.2 mmt -62.14 -23.28 66.48 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.304 -0.872 . . . . 10.0 113.125 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 pttm -53.7 -31.68 48.9 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 113.85 1.056 . . . . 10.0 113.85 170.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 -29.79 68.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.536 1.134 . . . . 10.0 112.528 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mm -85.17 -42.59 16.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.157 1.383 . . . . 10.0 110.602 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.81 -40.93 70.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.145 1.378 . . . . 10.0 112.611 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.8 m -59.82 -8.05 1.96 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.002 1.721 . . . . 10.0 114.915 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.2 m -122.63 8.44 9.5 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.2 1.8 . . . . 10.0 113.325 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 16.8 tt -139.72 -16.79 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 124.709 1.204 . . . . 10.0 113.919 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.4 tp -141.7 165.19 28.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.858 1.663 . . . . 10.0 110.566 177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -129.97 10.86 5.51 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.731 1.382 . . . . 10.0 114.731 -170.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.29 30.72 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.028 1.731 . . . . 10.0 115.38 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 35.5 m80 -52.06 142.86 15.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.284 1.834 . . . . 10.0 113.448 -176.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -152.57 161.52 42.47 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.643 1.577 . . . . 10.0 110.957 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -135.84 12.4 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 -169.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -60.56 146.73 44.09 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 121.269 -0.894 . . . . 10.0 112.084 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 125.616 1.567 . . . . 10.0 111.256 -175.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 N-CA-C 110.378 -0.23 . . . . 10.0 110.378 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -153.12 147.89 26.33 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.421 1.088 . . . . 10.0 111.104 170.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -158.72 156.42 26.95 Favored Pre-proline 0 CA--C 1.546 0.792 0 C-N-CA 125.902 1.681 . . . . 10.0 110.965 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -81.46 162.55 19.51 Favored 'Trans proline' 0 CA--C 1.547 1.126 0 C-N-CA 123.153 2.568 . . . . 10.0 111.752 169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.63 172.76 1.36 Allowed 'Trans proline' 0 CA--C 1.544 1.018 0 C-N-CA 124.183 3.255 . . . . 10.0 113.246 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -133.25 157.67 77.62 Favored Pre-proline 0 N--CA 1.481 1.111 0 C-N-CA 124.908 1.283 . . . . 10.0 112.142 174.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.68 138.82 32.32 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 124.924 3.75 . . . . 10.0 115.249 -173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -77.23 59.26 1.74 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 10.0 111.946 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.56 -32.01 68.52 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.062 0.945 . . . . 10.0 111.72 172.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.74 161.37 34.73 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.878 2.471 . . . . 10.0 108.815 169.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.03 -8.6 5.52 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.324 1.601 . . . . 10.0 115.324 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -125.46 -17.81 5.47 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.827 1.651 . . . . 10.0 113.808 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -63.57 -36.89 85.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.227 -1.545 . . . . 10.0 112.852 -177.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -7.08 40.84 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.791 1.636 . . . . 10.0 115.374 175.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 89.4 p -59.04 -25.07 63.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.509 1.3 . . . . 10.0 114.509 -174.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -58.26 -23.47 53.17 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.978 1.275 . . . . 10.0 115.296 173.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -119.74 -30.35 4.8 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.424 1.49 . . . . 10.0 112.944 -174.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.45 -24.12 59.0 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.57 -0.729 . . . . 10.0 112.407 169.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 t -0.03 -53.17 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.312 1 C-N-CA 132.916 4.486 . . . . 10.0 119.735 174.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.35 -43.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.844 2.164 . . . . 10.0 110.787 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.6 mm -59.04 -52.38 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.257 1.423 . . . . 10.0 112.06 173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.23 -43.6 10.48 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 123.331 0.491 . . . . 10.0 113.192 -170.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -61.45 -21.64 64.33 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 114.08 1.141 . . . . 10.0 114.08 176.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.17 -8.57 56.36 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 115.631 1.715 . . . . 10.0 115.631 -173.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -103.65 13.8 32.46 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.679 1.191 . . . . 10.0 111.247 169.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -143.84 -9.73 0.7 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.241 1.817 . . . . 10.0 114.966 -168.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.71 -17.37 62.92 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 -169.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -101.72 6.6 54.93 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.438 1.494 . . . . 10.0 114.466 171.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 t -129.94 -15.12 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 126.036 1.734 . . . . 10.0 112.744 -177.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -51.81 -22.07 3.37 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.384 1.474 . . . . 10.0 113.622 169.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -52.49 -41.41 63.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.359 1.464 . . . . 10.0 112.891 169.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.12 -38.86 79.09 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.411 1.084 . . . . 10.0 111.135 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.5 -38.62 87.98 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.531 -0.731 . . . . 10.0 111.546 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -68.44 -37.19 80.03 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 118.692 0.678 . . . . 10.0 112.808 175.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -59.47 -43.05 93.33 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 118.773 0.715 . . . . 10.0 111.198 169.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -70.49 -37.44 74.2 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 112.802 0.667 . . . . 10.0 112.802 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -66.63 -34.71 78.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.737 0.815 . . . . 10.0 111.54 172.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -64.8 -39.35 93.45 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.431 -0.793 . . . . 10.0 111.664 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.566 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -61.06 -47.01 88.34 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.688 -0.632 . . . . 10.0 111.617 170.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -64.42 -25.95 68.24 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 126.465 1.906 . . . . 10.0 111.964 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.07 -37.24 34.26 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.534 1.309 . . . . 10.0 114.534 169.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -62.79 -35.91 81.4 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 120.171 1.35 . . . . 10.0 108.455 168.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 43' ' ' LEU . 7.1 tp -69.03 -36.77 78.12 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.145 0.978 . . . . 10.0 112.223 169.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.5 m -63.68 -37.95 89.28 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 119.418 -2.051 . . . . 10.0 111.144 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.98 -33.62 73.5 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.477 1.111 . . . . 10.0 112.886 175.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -152.25 92.0 3.56 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 125.462 1.505 . . . . 10.0 111.866 169.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -48.63 -24.16 6.32 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 124.896 3.731 . . . . 10.0 118.357 -169.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.8 p -130.75 27.61 4.93 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 116.233 1.938 . . . . 10.0 116.233 171.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.15 127.03 85.41 Favored Pre-proline 0 CA--C 1.535 0.388 0 N-CA-C 106.241 -1.763 . . . . 10.0 106.241 167.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.53 -27.88 18.3 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 N-CA-C 115.636 1.36 . . . . 10.0 115.636 -168.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.5 m -73.67 -42.47 61.28 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.264 1.393 . . . . 10.0 110.639 170.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.6 79.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.475 1.034 . . . . 10.0 111.986 172.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.68 -35.64 38.83 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 123.845 0.858 . . . . 10.0 110.933 -177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.01 97.87 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.085 0.954 . . . . 10.0 111.032 169.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.1 t30 -65.78 -53.51 39.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.523 1.529 . . . . 10.0 110.918 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -54.59 -44.56 73.15 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.144 -0.932 . . . . 10.0 112.668 171.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -65.01 -40.46 94.93 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 120.329 1.422 . . . . 10.0 112.684 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -66.3 -45.99 78.47 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.633 1.173 . . . . 10.0 112.357 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.566 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.9 mt -70.0 -35.81 65.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 C-N-CA 123.86 0.864 . . . . 10.0 110.186 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.8 ttm -68.01 -33.78 75.24 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 121.463 -0.773 . . . . 10.0 112.859 176.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 t -58.96 -42.53 90.12 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.978 0.911 . . . . 10.0 111.397 171.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.59 -43.51 72.68 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.903 . . . . 10.0 112.83 172.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -61.91 -43.29 99.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.102 1.361 . . . . 10.0 113.311 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -67.4 -33.32 74.95 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.108 0.963 . . . . 10.0 111.676 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 60.0 tp -64.72 -45.38 86.78 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.232 1.013 . . . . 10.0 112.433 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -66.51 -37.33 84.81 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.068 0.547 . . . . 10.0 112.351 174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.92 -44.36 94.37 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.646 0.778 . . . . 10.0 111.955 170.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -63.43 -39.29 94.1 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.415 1.086 . . . . 10.0 112.935 175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.08 -42.35 84.79 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.481 0.548 . . . . 10.0 112.481 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -62.93 -43.53 98.56 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.731 0.812 . . . . 10.0 111.708 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.8 m -63.15 -37.51 87.52 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.951 0.9 . . . . 10.0 112.413 176.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 69.1 m -64.97 -40.11 94.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.788 0.835 . . . . 10.0 112.108 174.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.73 -41.49 97.71 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.675 -0.641 . . . . 10.0 112.565 174.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.8 -41.06 87.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.96 1.304 . . . . 10.0 111.666 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -61.1 -39.22 89.15 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.019 0.928 . . . . 10.0 112.27 174.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 74.1 m -66.73 -41.26 88.18 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.413 0.685 . . . . 10.0 112.627 170.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 27.1 ttt -62.78 -31.22 72.15 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.293 -0.879 . . . . 10.0 113.0 175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -59.9 -28.65 67.76 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.403 0.89 . . . . 10.0 113.403 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.22 -31.08 72.15 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.532 -0.73 . . . . 10.0 112.785 172.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.9 mt -75.12 -46.4 39.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 124.341 1.056 . . . . 10.0 109.929 173.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.18 -29.22 67.29 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.773 1.229 . . . . 10.0 113.466 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -56.14 -22.4 28.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.226 1.41 . . . . 10.0 114.018 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.5 m -78.08 3.47 14.86 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.603 1.334 . . . . 10.0 114.603 177.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.8 tp -51.72 141.49 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.632 1.173 . . . . 10.0 113.154 178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.5 mt -72.16 -16.98 61.98 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.938 1.295 . . . . 10.0 114.293 -175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.5 158.33 36.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.561 1.144 . . . . 10.0 113.404 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -64.14 161.02 17.06 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.193 0.997 . . . . 10.0 112.635 172.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -146.57 157.38 43.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.299 1.44 . . . . 10.0 111.793 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -73.67 159.33 33.19 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.078 0.951 . . . . 10.0 112.381 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -56.16 -21.77 24.78 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.131 1.772 . . . . 10.0 115.199 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -56.81 -34.49 67.75 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.065 1.346 . . . . 10.0 113.462 172.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.864 1.666 . . . . 10.0 111.728 -169.456 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 110.533 -0.173 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 p -67.45 -15.8 63.87 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 114.787 1.403 . . . . 10.0 114.787 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -143.77 156.83 59.18 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.929 1.692 . . . . 10.0 111.143 171.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -76.08 160.75 36.33 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 122.959 2.439 . . . . 10.0 111.4 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.46 -22.54 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.162 2.575 . . . . 10.0 113.541 172.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.7 p -79.87 158.44 72.81 Favored Pre-proline 0 N--CA 1.471 0.603 0 C-N-CA 124.456 1.102 . . . . 10.0 113.855 -171.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -57.65 153.92 39.81 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 124.641 3.561 . . . . 10.0 113.381 174.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.61 -42.04 91.72 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.265 1.026 . . . . 10.0 112.092 170.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -146.2 110.87 5.18 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.735 1.614 . . . . 10.0 109.882 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -28.87 69.56 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.606 0.965 . . . . 10.0 113.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -67.54 -7.37 25.45 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.983 1.313 . . . . 10.0 114.014 173.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -142.02 28.46 1.72 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.099 1.76 . . . . 10.0 111.54 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -46.64 -37.76 8.7 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 127.319 2.248 . . . . 10.0 115.754 -169.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 32.4 p90 -56.68 -19.04 14.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.175 1.79 . . . . 10.0 115.01 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 40.3 m -125.9 -21.75 4.3 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.19 1.396 . . . . 10.0 112.215 169.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -55.85 -33.69 60.4 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.741 1.638 . . . . 10.0 114.883 175.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -64.88 -18.86 65.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.744 1.387 . . . . 10.0 114.744 172.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -138.65 34.31 2.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.553 1.541 . . . . 10.0 112.814 -171.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 t -50.82 -29.86 12.78 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 127.137 2.175 . . . . 10.0 114.746 171.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 157.6 -39.06 0.54 Allowed Glycine 0 CA--C 1.533 1.217 0 C-N-CA 126.829 2.157 . . . . 10.0 111.191 -171.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 86.0 mt -52.48 -40.44 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.5 1.52 . . . . 10.0 110.963 169.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -56.3 -29.4 56.6 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 125.773 1.654 . . . . 10.0 115.673 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -98.25 -20.82 17.02 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 126.602 1.961 . . . . 10.0 113.026 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.61 -19.99 29.79 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 115.456 1.65 . . . . 10.0 115.456 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -67.73 -21.58 65.28 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.871 1.063 . . . . 10.0 113.871 172.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -79.08 -6.2 55.88 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.449 1.5 . . . . 10.0 113.494 178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -56.68 -22.73 36.86 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.014 1.726 . . . . 10.0 114.343 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.97 -0.35 89.66 Favored Glycine 0 CA--C 1.535 1.317 0 CA-C-O 118.731 -1.039 . . . . 10.0 115.255 176.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -122.29 -2.72 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 CA-C-N 119.271 1.536 . . . . 10.0 113.232 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -53.63 -28.68 34.18 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 121.187 -0.945 . . . . 10.0 113.09 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -59.17 -43.86 92.15 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.061 1.745 . . . . 10.0 113.734 175.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -34.19 38.33 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.649 1.18 . . . . 10.0 111.106 175.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.0 -35.82 79.67 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.339 -0.851 . . . . 10.0 112.192 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -69.32 -38.48 78.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.046 0.938 . . . . 10.0 112.326 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -60.26 -39.93 88.54 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.497 0.719 . . . . 10.0 111.949 170.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -71.04 -37.15 72.55 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.846 0.859 . . . . 10.0 113.137 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -65.18 -36.55 84.57 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.604 0.762 . . . . 10.0 111.703 171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.53 -38.3 90.53 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.54 -0.725 . . . . 10.0 111.817 170.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' ' 59' ' ' ILE . . . -60.92 -46.56 90.18 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 121.782 -0.574 . . . . 10.0 111.56 169.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -66.4 -23.43 66.31 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 125.155 1.382 . . . . 10.0 112.264 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.43 -37.41 32.1 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.946 1.248 . . . . 10.0 113.977 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -62.52 -36.16 81.69 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.106 1.321 . . . . 10.0 108.348 168.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.92 -35.79 77.23 Favored 'General case' 0 C--O 1.211 -0.95 0 C-N-CA 123.635 0.774 . . . . 10.0 112.305 169.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.0 m -64.94 -38.43 90.95 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 119.429 -2.044 . . . . 10.0 111.047 177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -60.52 -33.69 73.02 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.539 1.136 . . . . 10.0 112.668 174.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.76 92.63 3.6 Favored Pre-proline 0 CA--C 1.549 0.915 0 C-N-CA 125.324 1.45 . . . . 10.0 112.305 169.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.45 -24.06 8.39 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 124.681 3.587 . . . . 10.0 118.156 -169.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 81.5 p -130.41 27.97 4.99 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 116.2 1.926 . . . . 10.0 116.2 171.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -60.72 126.61 85.6 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 106.277 -1.749 . . . . 10.0 106.277 167.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.66 -29.93 18.84 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 121.315 1.343 . . . . 10.0 115.582 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.5 m -72.14 -42.62 65.77 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.346 1.43 . . . . 10.0 110.886 170.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.76 78.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 119.5 1.045 . . . . 10.0 111.968 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.75 -35.15 39.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 123.925 0.89 . . . . 10.0 111.125 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.38 98.86 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.301 1.041 . . . . 10.0 110.933 169.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -65.69 -53.57 39.32 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.373 1.469 . . . . 10.0 110.843 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.02 -44.98 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 118.061 -0.971 . . . . 10.0 112.772 171.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -64.57 -40.58 95.81 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.304 1.411 . . . . 10.0 112.686 176.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 63.2 ttp -65.23 -49.71 68.64 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.258 1.023 . . . . 10.0 111.918 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.475 HD12 ' HB2' ' A' ' 39' ' ' ALA . 96.7 mt -67.37 -33.95 65.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.003 0.921 . . . . 10.0 110.163 178.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 34.7 ttm -70.17 -38.64 75.46 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.116 0.871 . . . . 10.0 112.992 176.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 t -57.27 -44.3 83.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.319 1.048 . . . . 10.0 110.908 171.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.09 -49.68 66.71 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.788 0.662 . . . . 10.0 112.788 171.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -53.87 -48.58 69.89 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.453 1.501 . . . . 10.0 112.713 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -76.01 -39.96 54.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 122.602 0.361 . . . . 10.0 111.878 -171.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.8 tp -74.25 -45.69 46.35 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.208 1.003 . . . . 10.0 112.304 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -71.73 -20.05 61.96 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.184 0.994 . . . . 10.0 113.474 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -47.05 -47.94 22.44 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.315 1.446 . . . . 10.0 112.909 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -66.41 -45.67 79.19 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 125.031 1.332 . . . . 10.0 112.81 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.9 66.73 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.588 0.588 . . . . 10.0 112.588 -175.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -59.93 -37.96 81.0 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 10.0 112.396 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.3 m -59.12 -24.04 62.64 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 176.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 70.4 m -98.64 -38.13 9.25 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.454 1.102 . . . . 10.0 112.505 171.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.1 73.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.157 0.983 . . . . 10.0 113.578 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.6 t -57.01 -32.55 40.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 125.409 1.484 . . . . 10.0 112.716 176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -69.52 -18.01 63.64 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.528 1.131 . . . . 10.0 113.826 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 m -136.75 20.1 3.07 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.403 1.481 . . . . 10.0 113.277 -169.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 23.9 ptp -55.45 -34.28 64.36 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.835 1.42 . . . . 10.0 114.835 -169.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.81 -37.61 64.83 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.101 0.864 . . . . 10.0 112.13 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -65.87 -38.48 88.91 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.492 -0.755 . . . . 10.0 111.577 173.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.39 -48.78 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 124.081 0.952 . . . . 10.0 110.895 173.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -57.39 -34.62 69.06 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 10.0 112.975 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.8 m -69.88 -8.72 50.99 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.556 1.317 . . . . 10.0 114.556 174.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.8 m -138.54 17.03 2.72 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.449 1.5 . . . . 10.0 113.995 -170.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 tt -126.78 13.48 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 C-N-CA 125.612 1.565 . . . . 10.0 112.527 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.8 mt -61.54 159.26 13.35 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.677 1.591 . . . . 10.0 112.795 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -138.48 171.54 14.22 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.586 1.554 . . . . 10.0 111.551 -176.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -132.92 166.35 22.54 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.839 1.656 . . . . 10.0 111.3 -179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.46 153.71 42.92 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.387 1.475 . . . . 10.0 111.74 178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -132.31 13.71 4.61 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.688 1.195 . . . . 10.0 113.233 -170.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -61.18 150.0 35.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.951 1.3 . . . . 10.0 112.603 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.31 153.21 34.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.341 1.456 . . . . 10.0 111.796 177.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.633 1.573 . . . . 10.0 111.601 -176.466 . . . . . . . . 0 0 . 1 stop_ save_