data_4a53_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 4a53 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.66 0 N-CA-C 110.968 -0.853 . . . . 0.37 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -87.2 155.43 20.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.117 -1.225 . . . . 1.54 109.97 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -96.49 114.8 26.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.614 -0.679 . . . . 1.99 110.119 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.25 162.41 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.842 -0.536 . . . . 1.04 109.591 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -118.77 146.04 45.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.565 -0.709 . . . . 0.93999999999999995 109.428 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -134.13 142.87 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.581 -0.7 . . . . 1.02 109.902 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -93.1 136.1 33.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.173 -1.011 . . . . 1.1200000000000001 109.419 168.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.15 174.24 9.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.7 -0.8 . . . . 1.0600000000000001 110.09 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -56.48 -22.01 29.61 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.688 -0.632 . . . . 0.72999999999999998 111.611 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -95.5 24.31 5.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.509 -0.744 . . . . 1.5600000000000001 110.971 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.19 26.2 13.5 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 110.762 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 p -96.98 142.01 29.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.71999999999999997 109.103 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -109.9 139.27 45.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 2.6400000000000001 110.76 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.99 148.14 38.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.763 -0.585 . . . . 1.1000000000000001 110.018 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -135.59 153.35 51.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.513 -0.742 . . . . 2.75 110.417 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 -179.36 48.76 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.491 -1.444 . . . . 0.31 109.491 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.18 133.28 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.681 -0.893 . . . . 1.05 109.382 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -65.71 136.9 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.598 -0.688 . . . . 1.1499999999999999 110.261 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -125.11 -16.53 6.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.965 -0.459 . . . . 0.96999999999999997 111.551 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -158.31 152.11 23.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.007 -1.058 . . . . 1.95 111.134 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -149.03 133.26 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.561 -0.533 . . . . 0.53000000000000003 109.561 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.08 122.75 39.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.652 . . . . 1.04 109.881 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -73.61 -29.55 62.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.755 -0.59 . . . . 1.53 110.778 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -63.73 -44.19 94.29 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.525 -0.735 . . . . 1.47 110.788 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.03 6.92 8.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.526 -0.734 . . . . 2.1800000000000002 111.377 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m 51.88 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.284 -0.885 . . . . 1.3500000000000001 111.047 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mm -116.65 132.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.547 -0.721 . . . . 1.0700000000000001 109.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 tp -124.72 124.24 41.73 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.71 -0.619 . . . . 1.03 110.307 -173.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -96.98 127.47 42.98 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.515 -0.55 . . . . 1.5600000000000001 109.515 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.96 125.23 53.48 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.789 -0.57 . . . . 1.1200000000000001 110.098 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -111.95 120.27 41.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.766 -0.584 . . . . 3.6400000000000001 109.965 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 tp -102.01 158.69 15.97 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.361 0.6 . . . . 1.23 110.528 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.04 -1.2 6.98 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.872 -0.518 . . . . 1.05 112.142 -170.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -87.53 26.45 1.26 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.102 -0.999 . . . . 2.54 110.822 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.1 27.82 17.59 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.109 -0.994 . . . . 1.95 110.465 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -122.49 137.45 54.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.462 -0.774 . . . . 0.96999999999999997 110.189 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -131.82 146.48 52.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.757 -0.59 . . . . 1.1100000000000001 110.212 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -143.93 138.98 28.88 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.692 -0.63 . . . . 2.8300000000000001 110.493 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.0 p -96.54 119.73 35.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.711 -0.618 . . . . 0.87 109.988 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -129.9 130.45 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.602 -0.686 . . . . 1.0700000000000001 109.5 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -72.7 136.27 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.58 -0.7 . . . . 1.1000000000000001 109.116 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -63.29 -24.59 67.93 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 0.97999999999999998 111.401 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.69 -25.21 62.62 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.363 -0.836 . . . . 3.3500000000000001 110.741 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -89.46 13.06 14.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.461 -0.774 . . . . 0.23999999999999999 111.274 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.03 112.97 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.175 -0.953 . . . . 1.05 109.677 172.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -40.0 29.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 120.103 -0.639 . . . . 2.4100000000000001 110.023 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 60.0 m-20 -153.88 149.65 27.55 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.977 -0.689 . . . . 0.66000000000000003 110.864 -175.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.7 mt -128.34 144.2 51.1 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.771 -0.581 . . . . 1.0700000000000001 110.99 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -146.96 159.06 44.01 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.731 -0.605 . . . . 1.76 109.819 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -113.45 130.12 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.653 -0.654 . . . . 1.1000000000000001 109.331 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.565 -0.71 . . . . 1.1499999999999999 109.965 -176.405 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.696 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -87.16 148.03 25.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -1.201 . . . . 0.0 110.01 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -91.31 114.8 27.43 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.6 -0.687 . . . . 0.0 110.014 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.84 164.49 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.783 -0.573 . . . . 0.0 109.545 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -118.61 145.98 45.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.555 -0.716 . . . . 0.0 109.521 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.68 142.49 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.465 -0.772 . . . . 0.0 109.679 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.82 136.0 37.98 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.424 169.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.04 176.17 9.02 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.836 -0.746 . . . . 0.0 109.964 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.55 -22.46 44.76 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.718 -0.614 . . . . 0.0 111.481 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -100.7 25.49 7.81 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 111.234 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 59.05 26.06 14.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.175 -0.953 . . . . 0.0 110.952 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -98.13 132.91 43.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 167.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 14' ' ' LEU . 42.3 mttt -109.74 135.92 49.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.55 -0.719 . . . . 0.0 110.358 -171.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.14 151.08 41.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.797 -0.565 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -136.61 157.43 46.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.559 -0.713 . . . . 0.0 110.263 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.61 -177.92 48.56 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.1 132.59 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.894 . . . . 0.0 109.434 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.56 137.14 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.698 -0.626 . . . . 0.0 110.244 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.6 p -125.2 -16.11 6.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.903 -0.498 . . . . 0.0 111.604 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -158.19 151.86 23.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.985 -1.072 . . . . 0.0 111.132 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -149.08 132.66 16.76 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -122.12 123.16 40.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 109.828 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -74.39 -29.46 61.54 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.798 -0.563 . . . . 0.0 110.755 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -64.08 -42.83 96.8 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 110.734 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.0 5.09 8.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.566 -0.709 . . . . 0.0 111.463 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 52.11 67.1 1.03 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.116 -0.99 . . . . 0.0 111.091 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mm -117.8 132.46 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.523 -0.735 . . . . 0.0 109.579 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.72 123.57 40.28 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.712 -0.618 . . . . 0.0 110.309 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.91 128.66 44.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.813 -0.555 . . . . 0.0 109.587 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -112.22 126.0 54.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.759 -0.588 . . . . 0.0 110.091 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -112.2 121.35 44.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.757 -0.589 . . . . 0.0 109.933 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 tp -102.02 158.0 16.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.536 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.38 -4.68 8.61 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.899 -0.5 . . . . 0.0 112.083 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.47 29.83 0.75 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.034 -1.041 . . . . 0.0 110.798 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.87 29.49 17.63 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.168 -0.957 . . . . 0.0 110.316 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.6 m -123.55 137.16 54.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.505 -0.747 . . . . 0.0 110.218 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -131.06 146.63 52.44 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.696 -0.627 . . . . 0.0 110.172 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -144.04 140.04 29.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.715 -0.616 . . . . 0.0 110.475 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -97.18 120.11 36.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.73 -0.606 . . . . 0.0 110.012 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.61 130.53 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.658 -0.651 . . . . 0.0 109.508 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.1 t -73.13 136.41 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -63.07 -24.57 67.97 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.557 -0.715 . . . . 0.0 111.346 -172.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.78 -25.28 62.93 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.278 -0.888 . . . . 0.0 111.039 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.11 10.53 18.93 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.489 -0.757 . . . . 0.0 111.289 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -76.13 112.92 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.19 -0.944 . . . . 0.0 109.722 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -81.45 -39.6 24.6 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 120.091 -0.643 . . . . 0.0 110.146 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -152.73 146.6 25.25 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.624 -0.673 . . . . 0.0 110.867 -173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -127.81 144.24 51.09 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.696 -0.627 . . . . 0.0 110.892 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -149.04 159.0 44.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.737 -0.602 . . . . 0.0 109.819 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.7 mt -110.76 130.1 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.57 -0.706 . . . . 0.0 109.423 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.618 -0.676 . . . . 0.0 110.097 -175.713 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.528 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 p -87.17 150.0 24.25 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -1.179 . . . . 0.0 110.11 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -96.91 114.95 26.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.624 -0.672 . . . . 0.0 110.015 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -129.68 163.9 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.856 -0.528 . . . . 0.0 109.6 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -118.64 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 109.236 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -135.43 140.8 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.627 -0.671 . . . . 0.0 109.725 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.4 mt -95.59 136.05 36.47 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.719 171.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 177.65 8.41 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.004 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -58.73 -21.56 55.53 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.704 -0.622 . . . . 0.0 111.539 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -99.17 24.26 8.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.415 -0.803 . . . . 0.0 111.139 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 58.16 25.63 12.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.297 -0.877 . . . . 0.0 110.776 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p -97.16 132.94 42.45 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HA ' HD21 ' A' ' 14' ' ' LEU . 75.7 mttt -109.76 139.09 45.22 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.49 -171.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 148.54 38.68 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.801 -0.562 . . . . 0.0 110.046 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -139.45 147.39 41.31 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.652 -0.655 . . . . 0.0 110.395 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -173.33 45.6 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.64 141.43 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.575 -0.956 . . . . 0.0 109.755 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -80.73 139.61 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.552 -0.717 . . . . 0.0 110.025 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.9 p -125.19 -36.16 2.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.738 -0.601 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -139.28 150.14 45.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.139 -0.975 . . . . 0.0 111.063 -173.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -149.1 133.34 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.07 123.28 41.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.699 -0.626 . . . . 0.0 109.885 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -75.84 -30.51 58.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.775 -0.578 . . . . 0.0 110.727 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -66.82 -38.92 87.39 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.523 -0.736 . . . . 0.0 110.716 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.0 2.62 8.68 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.643 -0.66 . . . . 0.0 111.492 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 51.83 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 121.19 -0.943 . . . . 0.0 110.936 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mm -119.26 133.43 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.638 -0.664 . . . . 0.0 109.645 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -125.09 124.72 42.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.683 -0.635 . . . . 0.0 110.154 -174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -98.91 129.49 45.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.811 -0.556 . . . . 0.0 109.84 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.89 119.94 40.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.897 -0.502 . . . . 0.0 109.89 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -96.91 125.04 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.738 -0.601 . . . . 0.0 109.751 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -102.1 151.05 22.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.709 -0.619 . . . . 0.0 110.773 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.44 -8.45 13.57 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.9 -0.5 . . . . 0.0 111.941 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -86.01 29.74 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.111 -0.993 . . . . 0.0 111.049 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 60.56 27.5 17.18 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.93 -1.106 . . . . 0.0 110.492 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -121.62 141.68 50.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.423 -0.798 . . . . 0.0 110.119 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.76 144.12 51.14 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.658 -0.651 . . . . 0.0 110.191 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -144.03 138.51 28.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.624 -0.672 . . . . 0.0 110.315 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -99.38 122.98 43.27 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.778 -0.576 . . . . 0.0 109.989 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.9 mt -128.87 131.52 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.668 -0.645 . . . . 0.0 109.455 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.85 136.24 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.634 -0.667 . . . . 0.0 109.22 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -64.5 -24.53 67.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.61 -0.681 . . . . 0.0 111.473 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.99 -24.72 59.32 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.256 -0.902 . . . . 0.0 110.825 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.51 9.5 20.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.481 -0.762 . . . . 0.0 111.368 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.08 112.98 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.124 -0.985 . . . . 0.0 109.802 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -82.38 -39.95 22.0 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.219 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -150.85 143.17 24.23 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.616 -0.678 . . . . 0.0 110.839 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.0 mt -123.5 144.18 49.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.732 -0.605 . . . . 0.0 110.878 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -147.68 159.02 44.25 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.744 -0.597 . . . . 0.0 110.01 170.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -113.46 130.01 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.606 -0.684 . . . . 0.0 109.356 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.1 mt . . . . . 0 N--CA 1.497 1.902 0 O-C-N 121.588 -0.695 . . . . 0.0 109.953 -175.023 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.585 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -87.18 141.6 28.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.255 -1.144 . . . . 0.0 110.081 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.39 114.8 27.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.603 -0.685 . . . . 0.0 109.621 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.94 163.86 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.675 -0.64 . . . . 0.0 109.939 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.67 146.13 44.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.539 -0.726 . . . . 0.0 109.557 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.13 142.51 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.772 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -95.82 136.12 36.66 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.461 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.71 176.51 8.91 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.101 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -56.66 -22.62 35.91 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.696 -0.628 . . . . 0.0 111.461 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -100.22 25.45 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.532 -0.73 . . . . 0.0 111.019 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.13 25.83 12.94 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.294 -0.879 . . . . 0.0 110.742 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -93.78 132.97 37.65 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 14' ' ' LEU . 33.7 mttp -109.71 135.93 49.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.483 -171.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 153.0 43.79 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.792 -0.568 . . . . 0.0 109.822 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -143.24 152.79 42.11 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.566 -0.709 . . . . 0.0 110.668 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.85 -174.74 46.83 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.17 130.37 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.59 -0.947 . . . . 0.0 109.78 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.61 141.81 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.663 -0.648 . . . . 0.0 110.027 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.6 p -125.19 -36.1 2.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.72 -0.613 . . . . 0.0 111.504 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -141.05 150.56 43.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.099 -1.001 . . . . 0.0 111.103 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -149.11 133.25 17.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.05 121.22 36.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.706 -0.622 . . . . 0.0 109.899 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -70.82 -26.15 63.17 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.869 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 t -61.52 -49.63 75.95 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.431 -0.793 . . . . 0.0 110.773 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -124.04 10.79 8.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.584 -0.698 . . . . 0.0 111.342 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m 51.31 67.0 1.02 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.252 -0.905 . . . . 0.0 111.177 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.79 131.81 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.471 -0.768 . . . . 0.0 109.684 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.34 123.7 41.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.785 -0.572 . . . . 0.0 110.242 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.04 127.68 43.25 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.793 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.2 mt -110.94 119.95 40.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.844 -0.535 . . . . 0.0 109.971 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -97.79 124.76 42.29 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.674 -0.641 . . . . 0.0 109.822 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.2 tp -102.09 149.69 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.694 -0.629 . . . . 0.0 110.835 -173.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.85 -9.27 14.1 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.973 -0.455 . . . . 0.0 111.847 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.75 31.03 0.62 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.144 -0.973 . . . . 0.0 110.978 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 57.89 29.45 17.59 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.03 -1.043 . . . . 0.0 110.335 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -121.62 141.17 51.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.069 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -128.77 142.84 50.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.619 -0.676 . . . . 0.0 110.175 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -144.04 137.5 27.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.322 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.0 p -99.19 122.71 42.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.697 -0.627 . . . . 0.0 109.976 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -128.29 134.89 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 109.481 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -78.79 135.92 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.614 -0.679 . . . . 0.0 109.322 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.6 p -63.57 -24.6 67.87 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.585 -0.697 . . . . 0.0 111.351 -172.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -58.29 -25.09 61.42 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.362 -0.836 . . . . 0.0 110.799 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -87.84 10.13 19.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.467 -0.771 . . . . 0.0 111.413 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.2 mt -78.52 112.97 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.213 -0.929 . . . . 0.0 109.831 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -82.04 -39.61 23.25 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.149 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -152.42 145.23 24.36 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.892 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.54 144.24 50.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.764 -0.585 . . . . 0.0 110.788 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -147.59 159.02 44.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.6 -0.688 . . . . 0.0 109.824 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.89 130.06 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.614 -0.679 . . . . 0.0 109.411 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.0 mt . . . . . 0 N--CA 1.497 1.909 0 O-C-N 121.691 -0.63 . . . . 0.0 110.129 -176.002 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.588 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -87.19 149.07 24.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.232 -1.158 . . . . 0.0 110.113 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.65 114.86 26.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 109.949 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.48 162.24 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.762 -0.586 . . . . 0.0 109.754 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -118.68 146.02 45.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.578 -0.701 . . . . 0.0 109.706 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p -133.49 143.27 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 110.019 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.6 mt -93.76 136.07 34.42 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.356 167.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.16 175.46 8.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.868 174.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.75 -20.61 36.13 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.713 -0.617 . . . . 0.0 111.589 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -95.16 23.74 5.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.434 -0.791 . . . . 0.0 111.031 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.56 25.76 13.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.39 -0.819 . . . . 0.0 110.783 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -100.9 143.35 31.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.516 -0.74 . . . . 0.0 109.172 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -109.9 141.12 43.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.525 -0.735 . . . . 0.0 110.964 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.36 146.26 44.3 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.811 -0.556 . . . . 0.0 109.882 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -138.39 144.51 40.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.525 -0.735 . . . . 0.0 110.578 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -175.0 47.06 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.82 138.3 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.72 -0.871 . . . . 0.0 109.742 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.8 mt -80.49 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.587 -0.696 . . . . 0.0 110.112 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -125.22 -36.17 2.54 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.723 -0.611 . . . . 0.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.131 -0.98 . . . . 0.0 111.166 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -149.13 129.47 13.79 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.07 121.53 37.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.742 -0.599 . . . . 0.0 110.03 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.5 m -69.41 -29.96 67.81 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.746 -0.597 . . . . 0.0 110.696 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -60.33 -47.58 85.45 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 0.0 110.941 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -123.98 8.96 8.7 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 111.359 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m 51.27 67.05 1.01 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.99 134.58 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.0 109.728 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.59 125.42 44.14 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 110.212 -175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -102.92 129.0 49.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.737 -0.602 . . . . 0.0 109.89 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.88 122.25 47.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.851 -0.53 . . . . 0.0 110.191 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -95.17 124.22 39.09 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.741 -0.6 . . . . 0.0 109.715 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 tp -102.08 149.52 24.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.763 -0.585 . . . . 0.0 110.777 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.48 -7.55 14.88 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.953 -0.467 . . . . 0.0 111.919 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.83 28.68 0.87 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.039 -1.038 . . . . 0.0 110.981 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 t0 61.21 28.02 17.67 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.958 -1.089 . . . . 0.0 110.466 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.2 m -118.71 143.96 46.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.341 -0.849 . . . . 0.0 110.267 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -123.18 145.86 48.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.674 -0.641 . . . . 0.0 110.085 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -144.1 141.96 30.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.639 -0.663 . . . . 0.0 110.65 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.0 p -115.88 116.89 28.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.812 -0.555 . . . . 0.0 109.833 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.24 131.22 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 109.516 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.37 136.72 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.618 -0.676 . . . . 0.0 109.25 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.0 p -62.4 -24.6 67.48 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.606 -0.684 . . . . 0.0 111.433 -172.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -57.25 -25.07 58.57 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.25 -0.906 . . . . 0.0 111.039 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -87.44 9.46 20.72 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.388 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.87 113.0 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.181 -0.949 . . . . 0.0 109.792 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -81.57 -38.78 25.58 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.154 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 61.2 m-20 -153.35 147.94 26.18 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.853 -175.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.1 mt -127.77 144.15 51.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.779 -0.576 . . . . 0.0 110.898 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -146.28 159.02 43.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.73 -0.606 . . . . 0.0 109.722 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.4 mt -113.39 130.05 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.458 -0.776 . . . . 0.0 109.379 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 mt . . . . . 0 N--CA 1.497 1.884 0 O-C-N 121.751 -0.593 . . . . 0.0 110.039 -174.424 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.54 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.9 p -87.17 152.98 21.86 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.121 -1.223 . . . . 0.0 110.004 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.89 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.86 161.09 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.685 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -118.65 145.64 45.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.493 -0.754 . . . . 0.0 109.415 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.0 141.91 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.522 -0.736 . . . . 0.0 109.666 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.4 136.05 37.43 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.499 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.22 176.07 9.0 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.856 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.7 -22.04 44.02 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.741 -0.599 . . . . 0.0 111.552 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -100.48 25.96 7.17 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.467 -0.77 . . . . 0.0 111.284 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.77 25.91 14.07 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.282 -0.886 . . . . 0.0 110.941 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.4 p -99.41 132.92 44.41 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 14' ' ' LEU . 74.6 mttt -109.74 138.21 46.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.607 -0.683 . . . . 0.0 110.403 -171.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 146.78 35.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.705 -0.622 . . . . 0.0 110.1 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -137.5 149.85 47.11 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.61 -0.681 . . . . 0.0 110.467 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.75 -172.05 44.29 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.03 140.83 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.576 -0.955 . . . . 0.0 109.606 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.48 139.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.614 -0.679 . . . . 0.0 109.967 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 p -125.14 -36.14 2.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.611 -0.681 . . . . 0.0 111.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -137.03 146.71 45.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.987 . . . . 0.0 111.08 -172.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -121.98 121.0 36.06 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.661 -0.649 . . . . 0.0 109.981 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -69.95 -32.24 70.39 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.737 -0.602 . . . . 0.0 110.7 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -62.35 -44.63 96.03 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.525 -0.735 . . . . 0.0 110.846 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 11.11 8.89 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 111.346 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.3 p 46.7 66.71 0.92 Allowed 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.546 -0.722 . . . . 0.0 111.558 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -115.02 133.3 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.46 -0.775 . . . . 0.0 109.713 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.88 124.87 42.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.747 -0.596 . . . . 0.0 110.275 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -102.39 129.39 48.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.789 -0.569 . . . . 0.0 109.798 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -110.94 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.75 -0.594 . . . . 0.0 109.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -96.74 125.16 41.0 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.828 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 tp -102.06 148.81 24.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.6 -0.687 . . . . 0.0 110.851 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -9.63 15.21 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.895 -0.503 . . . . 0.0 111.767 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.63 31.08 0.61 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.087 -1.008 . . . . 0.0 111.005 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.11 29.42 17.82 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.123 -0.986 . . . . 0.0 110.436 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -121.28 140.48 52.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -129.62 144.96 51.51 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.72 -0.613 . . . . 0.0 110.23 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -144.01 142.11 30.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.708 -0.62 . . . . 0.0 110.499 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -107.68 120.87 43.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.746 -0.596 . . . . 0.0 109.886 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.36 129.98 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 137.44 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.281 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -62.18 -24.46 67.21 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.6 -0.687 . . . . 0.0 111.423 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.6 -25.53 60.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.252 -0.905 . . . . 0.0 110.891 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.44 9.61 20.24 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.511 -0.743 . . . . 0.0 111.31 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -78.01 112.94 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.185 -0.947 . . . . 0.0 109.786 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -81.83 -39.01 24.62 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.157 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -153.1 146.28 24.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.6 -0.688 . . . . 0.0 110.961 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.17 144.2 51.09 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.834 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -149.01 159.08 44.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.649 -0.657 . . . . 0.0 110.057 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.58 129.95 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.599 -0.688 . . . . 0.0 109.282 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 N--CA 1.499 2.013 0 O-C-N 121.627 -0.67 . . . . 0.0 110.336 -173.43 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.684 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -87.11 156.07 19.87 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.185 -1.186 . . . . 0.0 110.158 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -96.96 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.707 -0.621 . . . . 0.0 110.129 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.27 163.23 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -118.68 146.04 45.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.541 -0.724 . . . . 0.0 109.247 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -133.57 142.71 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 109.648 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.64 136.04 37.73 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.43 169.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -82.84 176.98 8.88 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.984 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.54 -21.89 41.1 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.723 -0.611 . . . . 0.0 111.516 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -102.63 27.41 6.94 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.406 -0.809 . . . . 0.0 111.16 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.7 26.06 14.14 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.149 -0.97 . . . . 0.0 110.902 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -97.69 134.94 40.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HA ' HD21 ' A' ' 14' ' ' LEU . 22.4 mtmm -109.7 138.34 46.22 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.436 -171.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 145.76 34.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.768 -0.583 . . . . 0.0 110.083 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -138.03 148.14 44.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.603 -0.686 . . . . 0.0 110.67 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.77 -173.65 45.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.201 -1.559 . . . . 0.0 109.201 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.0 t -91.83 139.57 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.564 -0.962 . . . . 0.0 109.766 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.9 135.19 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.632 -0.667 . . . . 0.0 109.944 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -125.23 -36.2 2.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.616 -0.678 . . . . 0.0 111.845 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -140.98 155.12 46.28 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.944 -1.098 . . . . 0.0 111.247 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -149.14 140.54 23.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.915 -0.491 . . . . 0.0 109.695 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -122.08 121.39 36.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.742 -0.599 . . . . 0.0 109.81 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -73.23 -29.88 63.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.755 -0.591 . . . . 0.0 110.698 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -64.73 -43.59 92.88 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.583 -0.698 . . . . 0.0 110.787 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -124.06 6.94 8.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.515 -0.74 . . . . 0.0 111.471 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m 51.38 67.01 1.02 Allowed 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.209 -0.932 . . . . 0.0 111.07 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mm -120.86 131.95 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -118.84 129.25 55.12 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.668 -0.645 . . . . 0.0 110.163 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -96.97 129.57 44.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.713 -0.617 . . . . 0.0 109.696 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -110.87 119.98 40.87 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.821 -0.549 . . . . 0.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -95.64 123.91 39.42 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.805 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 tp -102.03 151.74 21.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.718 -0.614 . . . . 0.0 110.83 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.43 -5.98 12.94 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.89 -0.506 . . . . 0.0 111.92 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.81 28.14 0.92 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.119 -0.988 . . . . 0.0 110.924 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 t70 60.95 27.63 17.48 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.978 -1.076 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 m -121.15 143.99 48.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.411 -0.806 . . . . 0.0 110.171 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -126.67 144.6 50.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.721 -0.612 . . . . 0.0 110.061 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -143.98 140.66 29.75 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.693 -0.63 . . . . 0.0 110.361 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.2 p -101.21 123.2 44.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.739 -0.601 . . . . 0.0 110.031 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.25 130.92 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 109.356 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 t -73.31 138.42 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.646 -0.659 . . . . 0.0 109.403 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 p -73.96 -24.85 59.68 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.613 -0.679 . . . . 0.0 111.357 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -61.15 -25.12 66.78 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.21 -0.931 . . . . 0.0 110.833 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.51 11.39 17.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.384 -0.823 . . . . 0.0 111.268 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.39 112.94 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -80.56 -39.77 27.08 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.169 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.12 145.83 24.31 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.907 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -126.97 144.26 51.06 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.709 -0.619 . . . . 0.0 110.983 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -149.08 159.06 44.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.77 -0.581 . . . . 0.0 110.022 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.9 mt -110.3 129.99 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.595 -0.691 . . . . 0.0 109.339 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.3 mt . . . . . 0 N--CA 1.499 1.999 0 O-C-N 121.659 -0.651 . . . . 0.0 110.164 -175.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.528 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -87.31 144.15 26.92 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.196 -1.179 . . . . 0.0 110.089 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -91.62 114.79 27.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.93 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -131.2 161.31 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.65 146.12 44.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.59 -0.694 . . . . 0.0 109.56 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -132.91 143.45 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 109.74 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.83 136.14 37.8 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.294 168.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.36 178.42 8.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.989 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -57.35 -22.43 42.34 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.776 -0.577 . . . . 0.0 111.563 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -100.27 24.66 8.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.522 -0.736 . . . . 0.0 111.196 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.86 25.8 12.48 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.29 -0.882 . . . . 0.0 110.683 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -96.19 133.06 40.96 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' HD21 ' A' ' 14' ' ' LEU . 22.3 mtmm -109.68 135.88 49.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.545 -0.722 . . . . 0.0 110.477 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.07 151.95 42.86 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.854 -0.529 . . . . 0.0 109.944 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -136.08 158.38 44.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.468 -0.77 . . . . 0.0 110.165 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.61 -177.43 48.44 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.96 127.84 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.705 -0.88 . . . . 0.0 109.487 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.22 137.31 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.684 -0.635 . . . . 0.0 110.256 -175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -125.07 -35.97 2.59 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.776 -0.578 . . . . 0.0 111.433 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -139.75 151.32 45.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -149.14 135.44 19.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.932 -0.48 . . . . 0.0 109.734 174.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -122.03 118.84 29.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.789 -0.57 . . . . 0.0 110.034 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -67.68 -30.18 69.65 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.796 -0.565 . . . . 0.0 110.719 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.9 m -61.13 -49.87 75.5 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.541 -0.724 . . . . 0.0 110.83 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -124.06 15.82 9.21 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.553 -0.717 . . . . 0.0 111.258 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 p 46.65 67.0 0.84 Allowed 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.653 -0.655 . . . . 0.0 111.663 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mm -115.01 130.27 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 109.597 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.7 tp -121.74 125.64 47.05 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.804 -0.56 . . . . 0.0 110.337 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -96.98 127.37 42.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.799 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -110.94 119.97 40.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.785 -0.572 . . . . 0.0 109.935 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -101.3 120.67 40.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.682 -0.636 . . . . 0.0 109.94 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 tp -102.07 154.58 18.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.73 -0.606 . . . . 0.0 110.568 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.65 -0.31 6.67 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.867 -0.521 . . . . 0.0 112.148 -171.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -88.05 26.64 1.33 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.975 -1.078 . . . . 0.0 110.741 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.52 27.79 17.22 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.091 -1.006 . . . . 0.0 110.465 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -121.94 140.1 52.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.474 -0.766 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.2 144.66 51.29 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.777 -0.577 . . . . 0.0 110.034 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -143.84 136.44 27.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 0.0 110.399 -177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.8 p -96.74 120.55 37.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.892 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.88 129.93 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.461 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.3 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.649 -0.657 . . . . 0.0 109.243 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.6 p -65.35 -24.64 67.3 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.552 -0.718 . . . . 0.0 111.294 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -58.58 -26.11 63.27 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.235 -0.916 . . . . 0.0 110.89 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -88.5 12.32 14.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.769 . . . . 0.0 111.307 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.86 112.89 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.149 -0.969 . . . . 0.0 109.68 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -84.99 -35.56 21.89 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.525 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.48 146.72 25.5 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.933 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt -128.42 144.25 51.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.863 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -147.42 159.05 44.15 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.76 -0.588 . . . . 0.0 109.888 171.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.1 mt -113.18 129.99 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.601 -0.687 . . . . 0.0 109.32 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 110.025 -175.567 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.501 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -87.12 144.72 26.74 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.211 -1.17 . . . . 0.0 110.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.02 114.92 27.19 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.4 m -131.09 162.62 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.864 -0.523 . . . . 0.0 109.673 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.5 141.6 48.4 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.679 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.63 133.67 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.707 -0.621 . . . . 0.0 109.518 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -89.74 136.01 33.29 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.673 174.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.16 176.14 8.98 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.04 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -58.05 -22.2 49.01 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.731 -0.606 . . . . 0.0 111.52 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.99 25.58 7.24 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -0.772 . . . . 0.0 111.277 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.88 25.84 14.14 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.197 -0.939 . . . . 0.0 110.9 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -100.11 132.91 45.19 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 168.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 14' ' ' LEU . 75.7 mttt -109.96 139.78 44.68 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.364 -171.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.95 144.7 33.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.748 -0.595 . . . . 0.0 110.042 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -131.62 150.29 52.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.583 -0.698 . . . . 0.0 110.273 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.87 -171.93 44.12 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.17 130.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.675 -0.897 . . . . 0.0 109.705 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.01 140.37 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.538 -0.727 . . . . 0.0 110.014 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 p -125.18 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.652 -0.655 . . . . 0.0 111.549 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.28 147.42 45.66 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.137 -0.977 . . . . 0.0 111.074 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -149.1 127.68 12.38 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.13 127.01 49.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.65 -0.656 . . . . 0.0 109.879 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -75.16 -32.24 61.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.791 -0.568 . . . . 0.0 110.748 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -37.39 87.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.527 -0.733 . . . . 0.0 110.755 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -124.09 -0.0 8.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.645 -0.659 . . . . 0.0 111.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m 50.92 66.88 1.04 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.165 -0.959 . . . . 0.0 110.877 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -120.37 137.47 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.623 -0.673 . . . . 0.0 109.775 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.35 125.77 44.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.68 -0.637 . . . . 0.0 110.273 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -101.57 128.85 47.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.788 -0.57 . . . . 0.0 109.892 174.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.98 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.914 -0.491 . . . . 0.0 110.06 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -96.35 125.42 40.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.604 -0.685 . . . . 0.0 109.92 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -102.11 148.35 25.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.724 -0.61 . . . . 0.0 110.792 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -9.81 16.45 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.807 -0.558 . . . . 0.0 111.881 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.21 30.68 0.67 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.152 -0.967 . . . . 0.0 111.014 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 60.47 27.44 17.07 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.961 -1.087 . . . . 0.0 110.511 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -120.08 142.3 49.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.431 -0.793 . . . . 0.0 110.15 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.92 144.47 51.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.668 -0.645 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -144.03 132.54 22.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.709 -0.62 . . . . 0.0 110.247 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.6 p -102.1 120.98 41.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.675 -0.64 . . . . 0.0 109.93 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -129.18 136.9 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 109.333 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.0 t -77.91 136.09 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -63.61 -24.49 67.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.596 -0.69 . . . . 0.0 111.357 -172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -58.19 -25.0 61.04 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.806 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.72 10.01 19.69 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.486 -0.759 . . . . 0.0 111.401 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.45 112.99 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.181 -0.949 . . . . 0.0 109.776 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -80.94 -40.29 24.76 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.114 171.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -152.62 143.43 22.89 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.869 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 mt -122.06 144.19 49.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.771 -0.58 . . . . 0.0 110.679 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -146.77 154.65 41.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.0 mt -115.08 130.06 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.61 -0.681 . . . . 0.0 109.599 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.2 mt . . . . . 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.884 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.59 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.08 142.23 28.08 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.202 -1.175 . . . . 0.0 110.078 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.52 114.93 27.41 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.617 -0.677 . . . . 0.0 109.961 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.16 161.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.847 -0.533 . . . . 0.0 109.627 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -118.67 146.08 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 109.471 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.63 142.78 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.645 -0.659 . . . . 0.0 109.935 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -92.91 136.06 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.395 168.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.26 173.71 9.03 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.938 174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -14.93 11.68 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.846 -0.534 . . . . 0.0 111.907 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -95.92 22.76 7.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.275 -0.89 . . . . 0.0 111.023 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.87 25.98 12.72 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.323 -0.861 . . . . 0.0 110.748 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -103.34 145.88 29.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.538 -0.726 . . . . 0.0 109.304 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -109.95 142.22 41.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.489 -0.757 . . . . 0.0 110.823 -174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.59 39.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.769 -0.582 . . . . 0.0 109.838 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -136.95 144.61 43.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.536 -0.728 . . . . 0.0 110.709 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -174.39 46.53 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -89.66 142.55 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.643 -0.916 . . . . 0.0 109.695 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.8 mt -83.1 139.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.654 -0.654 . . . . 0.0 109.967 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.8 p -125.07 -36.07 2.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.641 -0.662 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -136.49 145.94 45.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.136 -0.977 . . . . 0.0 111.041 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -149.08 128.52 13.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.791 -0.568 . . . . 0.0 109.612 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -122.1 120.03 33.07 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.65 -0.656 . . . . 0.0 109.868 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -67.93 -30.87 70.29 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.836 -0.54 . . . . 0.0 110.815 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -61.08 -53.41 57.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.469 -0.769 . . . . 0.0 110.851 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -114.24 6.23 16.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.684 -0.635 . . . . 0.0 111.396 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m 51.55 67.06 1.02 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.233 -0.917 . . . . 0.0 110.905 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.8 134.93 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.533 -0.729 . . . . 0.0 109.696 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -126.38 124.82 41.07 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.718 -0.614 . . . . 0.0 110.369 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -102.17 129.57 48.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.782 -0.574 . . . . 0.0 109.779 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.95 121.71 46.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.844 -0.535 . . . . 0.0 110.009 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -97.51 123.85 41.53 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.724 -0.61 . . . . 0.0 109.783 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.14 149.93 23.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.665 -0.647 . . . . 0.0 110.781 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -9.51 13.97 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.934 -0.479 . . . . 0.0 111.798 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.59 31.0 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.036 -1.04 . . . . 0.0 110.997 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.95 29.27 17.39 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.021 -1.05 . . . . 0.0 110.379 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -121.73 141.7 50.92 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.539 -0.726 . . . . 0.0 110.097 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -128.27 144.06 51.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.682 -0.636 . . . . 0.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.54 142.04 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.655 -0.653 . . . . 0.0 110.614 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -108.83 119.19 38.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.811 -0.556 . . . . 0.0 109.952 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -130.08 131.54 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 109.484 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.14 137.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -62.32 -24.42 67.31 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.593 -0.692 . . . . 0.0 111.404 -172.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -57.13 -25.0 58.12 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.311 -0.868 . . . . 0.0 110.845 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.58 9.81 19.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.508 -0.745 . . . . 0.0 111.377 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.77 113.0 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.94 -40.08 28.87 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.987 171.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 60.0 m-20 -153.77 148.72 26.66 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.603 -0.685 . . . . 0.0 110.933 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -127.08 144.17 51.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.705 -0.622 . . . . 0.0 111.023 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -146.96 159.04 44.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.666 -0.646 . . . . 0.0 109.946 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.9 mt -113.95 130.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.568 -0.708 . . . . 0.0 109.212 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 N--CA 1.497 1.923 0 O-C-N 121.602 -0.686 . . . . 0.0 110.065 -174.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.27 146.41 25.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.157 -1.202 . . . . 0.0 110.044 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -91.87 114.85 27.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.585 -0.697 . . . . 0.0 109.916 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -130.51 158.75 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -118.65 144.21 46.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.556 -0.715 . . . . 0.0 109.188 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -132.87 141.02 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.618 -0.676 . . . . 0.0 109.714 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.36 136.06 36.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.036 -1.065 . . . . 0.0 109.479 170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.62 176.06 8.84 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.94 -21.22 42.92 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -102.28 31.28 4.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.0 110.686 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 52.84 27.03 5.01 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.751 -0.593 . . . . 0.0 111.201 167.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -102.65 132.9 48.45 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -109.8 137.23 47.89 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.394 -168.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 152.84 43.71 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.81 -0.556 . . . . 0.0 110.092 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.42 160.18 39.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.561 -0.712 . . . . 0.0 110.067 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.64 -173.53 45.85 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.57 129.43 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.597 -0.943 . . . . 0.0 109.39 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.9 mt -67.21 137.6 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.653 -0.654 . . . . 0.0 110.058 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.1 p -125.1 -36.13 2.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.764 -0.585 . . . . 0.0 111.463 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -138.26 147.8 44.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -149.11 130.86 15.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.813 -0.555 . . . . 0.0 109.671 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.02 122.16 38.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.697 -0.627 . . . . 0.0 110.029 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.86 -26.06 63.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 110.82 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -49.06 78.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.412 -0.805 . . . . 0.0 110.777 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 9.99 8.78 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.599 -0.688 . . . . 0.0 111.267 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 51.14 67.03 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.249 -0.907 . . . . 0.0 110.992 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.73 131.83 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.555 -0.716 . . . . 0.0 109.713 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 tp -122.96 124.6 43.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.722 -0.611 . . . . 0.0 110.307 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.19 128.79 45.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.805 -0.559 . . . . 0.0 109.773 173.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.94 120.57 42.82 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.79 -0.569 . . . . 0.0 109.934 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -103.17 121.42 42.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.705 -0.622 . . . . 0.0 109.946 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.4 tp -102.05 153.82 19.55 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.68 -174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.36 -6.52 10.31 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.955 -0.465 . . . . 0.0 112.054 -171.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -86.4 30.66 0.69 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.018 -1.051 . . . . 0.0 110.87 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.92 29.04 17.0 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.154 -0.966 . . . . 0.0 110.444 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -122.49 138.02 54.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.502 -0.749 . . . . 0.0 110.012 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -130.1 144.63 51.45 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.683 -0.636 . . . . 0.0 110.154 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -140.76 142.07 34.78 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.631 -0.668 . . . . 0.0 110.603 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -103.43 119.46 38.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.796 -0.565 . . . . 0.0 109.916 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.91 129.74 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.449 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.7 136.66 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.3 p -62.07 -24.58 67.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.629 -0.669 . . . . 0.0 111.323 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.12 -25.69 64.07 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.323 -0.861 . . . . 0.0 110.833 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.17 10.85 17.99 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 111.26 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.71 112.9 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.149 -0.97 . . . . 0.0 109.818 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -81.46 -39.14 25.29 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.044 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -153.6 146.06 24.05 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.598 -0.689 . . . . 0.0 110.853 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.05 144.26 50.79 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.761 -0.587 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -148.37 159.01 44.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.66 -0.65 . . . . 0.0 110.141 172.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.79 129.94 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.598 -0.689 . . . . 0.0 109.261 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.5 2.04 0 O-C-N 121.576 -0.703 . . . . 0.0 110.185 -174.67 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.625 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 p -87.18 149.5 24.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.116 -1.226 . . . . 0.0 110.143 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -95.72 114.9 26.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.561 -0.712 . . . . 0.0 109.903 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.23 162.95 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.736 -0.602 . . . . 0.0 109.623 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.73 146.08 45.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.609 -0.682 . . . . 0.0 109.255 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -134.74 141.32 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.554 -0.716 . . . . 0.0 109.776 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -95.25 136.01 36.13 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.591 170.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 176.66 8.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.067 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.63 -22.07 43.34 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.686 -0.634 . . . . 0.0 111.535 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -98.77 24.45 7.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.107 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.73 25.95 12.46 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -96.25 133.0 41.13 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 170.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -109.77 137.03 48.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.537 -0.727 . . . . 0.0 110.374 -170.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.45 36.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.833 -0.542 . . . . 0.0 109.997 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -138.58 150.97 46.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.626 -0.671 . . . . 0.0 110.636 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -172.82 45.13 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.15 136.07 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.635 -0.92 . . . . 0.0 109.618 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.13 138.6 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.604 -0.685 . . . . 0.0 110.044 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.1 p -125.11 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.687 -0.633 . . . . 0.0 111.563 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -137.88 149.03 45.92 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.104 -0.997 . . . . 0.0 111.136 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -149.16 132.16 16.22 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.03 119.35 31.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.706 -0.621 . . . . 0.0 110.039 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -68.82 -26.44 65.17 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.75 -0.593 . . . . 0.0 110.756 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 t -61.23 -51.75 67.68 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.42 -0.8 . . . . 0.0 110.79 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -124.0 16.47 9.27 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.568 -0.708 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 p 46.93 67.0 0.86 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.639 -0.663 . . . . 0.0 111.547 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -113.94 132.06 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.476 -0.765 . . . . 0.0 109.684 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -122.76 125.3 45.22 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.215 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.93 129.12 45.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.741 -0.599 . . . . 0.0 109.792 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.8 mt -110.94 120.01 40.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.781 -0.574 . . . . 0.0 109.941 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -96.4 124.06 40.26 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.753 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 tp -102.11 149.57 24.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.68 -0.638 . . . . 0.0 110.786 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -9.57 14.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.95 -0.469 . . . . 0.0 111.871 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.79 30.94 0.62 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.072 -1.017 . . . . 0.0 110.985 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.01 29.37 17.61 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.042 -1.036 . . . . 0.0 110.413 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -121.32 141.46 50.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.458 -0.776 . . . . 0.0 110.106 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -127.85 144.41 51.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.712 -0.617 . . . . 0.0 110.207 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -143.96 142.05 30.52 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.639 -0.663 . . . . 0.0 110.572 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.5 p -106.83 121.07 43.67 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.802 -0.561 . . . . 0.0 109.955 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.12 130.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.635 -0.665 . . . . 0.0 109.428 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 t -72.72 136.63 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.26 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -64.57 -24.55 67.63 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.594 -0.691 . . . . 0.0 111.494 -172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -57.75 -25.06 59.91 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.0 110.955 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.4 9.6 20.13 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.321 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.9 mt -77.13 112.91 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.14 -0.975 . . . . 0.0 109.839 174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -81.21 -40.29 24.08 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.087 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -152.18 143.9 23.6 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.863 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.86 144.2 49.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.73 -0.606 . . . . 0.0 110.827 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -147.82 158.99 44.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 110.082 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.8 mt -112.4 130.04 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.655 -0.653 . . . . 0.0 109.294 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.6 mt . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.662 -0.649 . . . . 0.0 110.078 -174.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.4 p -87.3 141.34 28.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.187 -1.184 . . . . 0.0 110.298 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -87.01 114.91 24.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.6 -0.687 . . . . 0.0 109.774 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.36 162.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -118.6 143.44 46.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -131.5 142.4 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.566 -0.709 . . . . 0.0 110.011 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.4 mt -97.52 136.08 38.44 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.566 169.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.53 177.0 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.044 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.9 -22.04 46.43 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.784 -0.572 . . . . 0.0 111.535 -176.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -100.75 26.48 6.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.762 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.93 25.9 14.29 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.303 -0.873 . . . . 0.0 110.946 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -100.31 137.63 38.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HA ' HD21 ' A' ' 14' ' ' LEU . 41.5 mttt -109.63 142.75 40.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.511 -0.743 . . . . 0.0 110.417 -172.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.08 148.57 40.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.794 -0.567 . . . . 0.0 110.134 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -124.86 153.12 43.07 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.623 -0.673 . . . . 0.0 109.576 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.71 171.38 41.91 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.016 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.92 125.92 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.845 -0.797 . . . . 0.0 109.32 177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.78 137.34 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.744 -0.597 . . . . 0.0 110.278 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.3 p -125.11 -36.21 2.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.844 -0.535 . . . . 0.0 111.311 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -136.97 147.89 46.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.207 -0.933 . . . . 0.0 111.049 -173.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.818 -0.551 . . . . 0.0 109.621 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.03 122.73 39.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.652 -0.655 . . . . 0.0 110.065 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.79 -25.42 62.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.832 -0.543 . . . . 0.0 110.825 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -61.14 -48.52 81.23 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.43 -0.794 . . . . 0.0 110.802 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.1 9.36 8.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.648 -0.657 . . . . 0.0 111.27 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 50.76 66.96 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.203 -0.936 . . . . 0.0 111.028 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -114.75 132.87 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.571 -0.706 . . . . 0.0 109.719 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.1 125.08 44.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.651 -0.656 . . . . 0.0 110.314 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.37 127.52 46.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.82 -0.55 . . . . 0.0 109.917 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -110.8 120.01 41.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.526 . . . . 0.0 109.864 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -99.83 120.86 40.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.661 -0.649 . . . . 0.0 109.819 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.13 151.06 22.62 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.625 -0.672 . . . . 0.0 110.629 -172.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 -7.4 11.78 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.854 -0.529 . . . . 0.0 112.128 -170.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -86.76 30.94 0.7 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.086 -1.009 . . . . 0.0 110.846 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.08 29.09 17.29 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.075 -1.016 . . . . 0.0 110.339 177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 m -120.34 139.65 52.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.539 -0.726 . . . . 0.0 110.065 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -127.56 142.36 51.39 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.725 -0.61 . . . . 0.0 110.135 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -143.98 132.92 22.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 110.43 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -98.25 121.95 40.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 0.0 109.938 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.7 mt -129.08 131.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.701 -0.624 . . . . 0.0 109.49 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -72.56 135.79 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 p -62.42 -24.67 67.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.614 -0.679 . . . . 0.0 111.406 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -58.26 -26.12 62.55 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.956 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 9.52 19.57 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.33 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -77.94 112.98 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.168 -0.958 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -82.25 -39.49 22.94 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.051 171.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -151.95 145.31 24.76 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.848 -173.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 mt -127.2 144.2 51.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.795 -0.565 . . . . 0.0 110.68 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -146.94 158.34 43.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.652 -0.655 . . . . 0.0 109.86 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.7 mt -114.77 130.1 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.631 -0.668 . . . . 0.0 109.324 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.497 1.903 0 O-C-N 121.595 -0.691 . . . . 0.0 110.025 -174.06 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.551 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 p -87.18 149.59 24.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.102 -1.234 . . . . 0.0 110.008 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -95.7 114.8 26.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.602 -0.686 . . . . 0.0 109.916 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.67 159.59 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.81 -0.556 . . . . 0.0 109.651 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -118.69 146.08 44.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.516 -0.74 . . . . 0.0 109.424 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 p -133.48 142.51 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.69 -0.631 . . . . 0.0 109.853 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -93.11 136.1 33.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.198 168.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.63 174.7 8.71 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.823 175.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.22 -20.76 29.12 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.716 -0.615 . . . . 0.0 111.589 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -94.57 23.28 5.43 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.393 -0.817 . . . . 0.0 110.984 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.31 26.16 13.64 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.341 -0.85 . . . . 0.0 110.739 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -100.66 144.05 30.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.495 -0.753 . . . . 0.0 109.179 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -109.83 143.69 39.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.6 -0.688 . . . . 0.0 110.922 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.4 143.12 33.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.82 -0.55 . . . . 0.0 109.976 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.2 ptt85 -137.05 144.81 43.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.565 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -171.96 44.18 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.07 134.7 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.8 mt -75.07 139.54 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.611 -0.681 . . . . 0.0 110.031 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -125.16 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.616 -0.678 . . . . 0.0 111.522 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -137.45 147.63 45.49 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.206 -0.933 . . . . 0.0 111.073 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -149.1 129.84 14.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.862 -0.524 . . . . 0.0 109.608 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -122.05 122.3 38.96 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.632 -0.667 . . . . 0.0 109.998 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.78 -25.7 63.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.843 -0.536 . . . . 0.0 110.923 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -60.99 -49.42 77.5 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.762 . . . . 0.0 110.844 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.02 10.11 8.78 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.509 -0.744 . . . . 0.0 111.263 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m 51.15 67.02 1.01 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.239 -0.913 . . . . 0.0 110.989 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.88 133.83 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.512 -0.743 . . . . 0.0 109.716 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -124.51 125.69 44.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.697 -0.627 . . . . 0.0 110.324 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -101.68 129.75 47.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.813 -0.554 . . . . 0.0 109.83 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.87 119.96 40.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.868 -0.52 . . . . 0.0 110.002 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -97.04 124.2 40.97 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.719 -0.613 . . . . 0.0 109.768 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 tp -102.03 145.74 28.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.733 -0.604 . . . . 0.0 110.841 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -10.31 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.92 -0.487 . . . . 0.0 111.78 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -86.26 30.89 0.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.143 -0.973 . . . . 0.0 111.044 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t70 61.09 27.56 17.37 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.0 m -119.7 140.09 51.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.398 -0.813 . . . . 0.0 110.036 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.24 144.05 51.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.632 -0.668 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -143.98 142.09 30.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.671 -0.643 . . . . 0.0 110.557 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -110.31 119.37 39.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.821 -0.549 . . . . 0.0 109.801 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.53 132.07 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.624 -0.672 . . . . 0.0 109.534 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.43 137.26 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.632 -0.668 . . . . 0.0 109.276 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.7 p -63.09 -24.64 68.0 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.576 -0.703 . . . . 0.0 111.376 -172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -58.48 -25.11 61.95 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.324 -0.86 . . . . 0.0 110.866 -175.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.73 11.9 16.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.447 -0.783 . . . . 0.0 111.282 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.0 mt -77.73 112.91 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.23 -0.919 . . . . 0.0 109.705 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -80.6 -39.0 28.3 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.085 171.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 60.5 m-20 -153.65 150.92 29.1 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.787 -175.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -130.05 144.26 51.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.629 -0.669 . . . . 0.0 110.868 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -148.21 159.05 44.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.689 -0.632 . . . . 0.0 109.968 172.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.1 mt -113.08 130.03 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.637 -0.664 . . . . 0.0 109.31 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.499 1.997 0 O-C-N 121.598 -0.689 . . . . 0.0 110.2 -175.275 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -87.15 143.22 27.4 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.148 -1.207 . . . . 0.0 110.182 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.75 114.9 27.56 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.625 -0.672 . . . . 0.0 109.888 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.93 162.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.735 -0.603 . . . . 0.0 109.693 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -118.65 146.07 44.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 0.0 109.439 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.0 p -133.74 143.39 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.612 -0.68 . . . . 0.0 109.702 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.9 136.09 37.96 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.325 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.52 177.5 8.69 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.928 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -58.29 -21.47 49.08 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.72 -0.613 . . . . 0.0 111.53 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -103.08 27.47 7.12 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.444 -0.785 . . . . 0.0 111.11 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.66 26.01 14.02 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.29 -0.882 . . . . 0.0 110.87 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.43 133.06 42.52 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 169.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.9 mptt -109.79 137.25 47.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 0.0 110.642 -170.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.09 150.13 40.79 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 109.946 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -141.41 149.9 41.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.6 -0.687 . . . . 0.0 110.588 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -173.33 45.61 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -91.31 138.54 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.549 -0.971 . . . . 0.0 109.759 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -79.1 139.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.653 -0.654 . . . . 0.0 109.925 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.6 p -125.11 -36.04 2.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.706 -0.621 . . . . 0.0 111.484 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -138.16 148.77 45.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.129 -0.982 . . . . 0.0 111.121 -173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -149.11 130.71 14.92 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -122.08 123.66 42.11 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.724 -0.61 . . . . 0.0 109.922 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -74.24 -29.17 61.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.826 -0.546 . . . . 0.0 110.789 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -63.82 -42.67 97.6 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.576 -0.702 . . . . 0.0 110.716 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -123.97 4.87 8.67 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.656 -0.652 . . . . 0.0 111.441 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 m 51.48 67.06 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.323 -0.861 . . . . 0.0 110.937 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mm -117.68 134.76 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.578 -0.701 . . . . 0.0 109.626 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.39 122.78 37.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.811 -0.556 . . . . 0.0 110.211 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -96.99 128.67 44.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.765 -0.584 . . . . 0.0 109.824 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -110.85 119.98 40.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.877 -0.515 . . . . 0.0 109.855 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -98.7 124.67 43.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.768 -0.583 . . . . 0.0 109.782 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 tp -102.04 148.91 24.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.655 . . . . 0.0 110.87 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.42 -8.7 14.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.94 -0.475 . . . . 0.0 111.838 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -86.1 30.58 0.67 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.15 -0.969 . . . . 0.0 111.0 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 60.84 27.54 17.34 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.985 -1.072 . . . . 0.0 110.618 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -121.41 139.05 53.95 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.098 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -132.02 140.07 48.8 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -144.08 142.03 30.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.73 -0.606 . . . . 0.0 110.354 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -98.3 125.77 43.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.738 -0.601 . . . . 0.0 110.049 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.15 133.45 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.64 -0.662 . . . . 0.0 109.494 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.6 t -77.93 137.0 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.629 -0.669 . . . . 0.0 109.276 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -64.21 -24.62 67.74 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.643 -0.66 . . . . 0.0 111.375 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -57.7 -25.23 60.01 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.211 -0.931 . . . . 0.0 111.062 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.98 9.17 20.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 111.328 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -78.9 112.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.161 -0.962 . . . . 0.0 109.843 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -85.03 -37.77 19.98 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.304 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -150.13 145.75 26.5 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.926 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -128.02 144.19 51.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.745 -0.597 . . . . 0.0 110.96 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -147.56 159.01 44.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.746 -0.596 . . . . 0.0 109.884 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.48 130.06 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 109.427 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.635 -0.666 . . . . 0.0 110.163 -173.559 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.688 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -87.15 148.75 25.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -1.199 . . . . 0.0 110.021 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -93.29 114.89 27.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.549 -0.719 . . . . 0.0 109.99 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.16 163.69 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -118.67 146.08 44.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.529 -0.732 . . . . 0.0 109.652 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -132.07 142.78 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.655 -0.653 . . . . 0.0 109.809 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.6 mt -93.68 135.99 34.41 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.346 166.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.88 174.07 9.54 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.888 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -58.01 -21.05 43.15 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.695 -0.628 . . . . 0.0 111.545 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -96.88 25.34 5.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.493 -0.754 . . . . 0.0 111.031 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.72 26.66 15.8 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.269 -0.894 . . . . 0.0 110.979 171.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -102.11 141.59 34.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.41 -0.807 . . . . 0.0 109.299 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -109.93 139.07 45.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.53 -0.731 . . . . 0.0 110.863 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 150.91 41.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.808 -0.557 . . . . 0.0 109.978 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -137.75 155.93 48.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.517 -0.739 . . . . 0.0 110.49 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.67 179.56 48.51 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.97 132.08 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.74 -0.859 . . . . 0.0 109.283 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 135.32 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.631 -0.668 . . . . 0.0 110.27 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.6 p -125.17 -14.69 6.48 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.907 -0.496 . . . . 0.0 111.677 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -158.04 151.54 23.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.938 -1.101 . . . . 0.0 111.081 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -149.09 133.66 17.69 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -122.01 119.31 31.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.755 -0.591 . . . . 0.0 109.978 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -68.37 -31.16 70.34 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.874 -0.516 . . . . 0.0 110.71 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -61.14 -48.92 79.39 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.502 -0.749 . . . . 0.0 110.875 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -123.95 14.98 9.26 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.745 . . . . 0.0 111.264 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 p 46.95 67.16 0.83 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.571 -0.706 . . . . 0.0 111.643 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -114.14 130.99 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.482 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.7 124.29 42.41 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.686 . . . . 0.0 110.399 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.91 126.91 42.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.791 -0.568 . . . . 0.0 109.55 172.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -111.07 126.4 54.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.748 -0.595 . . . . 0.0 110.083 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -111.85 119.59 39.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.735 -0.603 . . . . 0.0 110.048 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 tp -101.99 158.15 16.36 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 -173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.82 -4.27 8.8 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.984 -0.447 . . . . 0.0 112.034 -171.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.63 29.79 0.77 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.094 -1.004 . . . . 0.0 110.806 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.45 17.5 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.151 -0.968 . . . . 0.0 110.294 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -123.95 137.83 54.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.528 -0.733 . . . . 0.0 110.134 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -130.59 148.63 52.41 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.708 -0.62 . . . . 0.0 110.201 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -143.49 142.01 30.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.681 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.8 p -103.31 114.29 28.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.858 -0.526 . . . . 0.0 109.877 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.13 132.19 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.669 -0.644 . . . . 0.0 109.529 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.1 t -71.63 136.94 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.331 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -63.26 -24.53 67.91 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.552 -0.718 . . . . 0.0 111.355 -173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.64 -25.3 62.6 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.229 -0.92 . . . . 0.0 110.968 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.22 11.04 17.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.16 112.99 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.205 -0.935 . . . . 0.0 109.747 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.05 -39.17 30.33 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.947 171.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-20 -153.2 155.95 37.62 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.645 -0.659 . . . . 0.0 110.78 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -135.99 144.2 45.22 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.658 -0.651 . . . . 0.0 110.989 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -148.81 159.21 44.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.74 -0.6 . . . . 0.0 109.629 172.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.42 130.02 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.517 -0.74 . . . . 0.0 109.45 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.497 1.902 0 O-C-N 121.596 -0.69 . . . . 0.0 110.159 -175.574 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -87.31 144.75 26.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -1.169 . . . . 0.0 110.127 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.64 114.9 27.33 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.644 -0.66 . . . . 0.0 109.947 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.81 162.36 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -118.63 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.517 -0.739 . . . . 0.0 109.491 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.87 143.13 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.486 -0.759 . . . . 0.0 109.757 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.6 mt -96.3 136.09 37.25 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.416 168.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.74 176.69 8.78 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.93 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.43 -21.89 39.74 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.725 -0.61 . . . . 0.0 111.592 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -99.03 24.72 7.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.124 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.66 25.91 12.3 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.205 -0.934 . . . . 0.0 110.677 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -96.71 132.99 41.82 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 170.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 14' ' ' LEU . 58.5 mttt -109.69 137.03 48.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.391 -170.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.0 148.2 38.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.771 -0.58 . . . . 0.0 110.04 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -139.64 150.37 44.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.576 -0.702 . . . . 0.0 110.665 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.83 -173.52 45.78 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.1 t -90.75 140.08 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.595 -0.944 . . . . 0.0 109.698 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.45 139.48 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.653 -0.654 . . . . 0.0 109.964 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -125.1 -36.07 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.669 -0.645 . . . . 0.0 111.509 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -138.57 148.74 44.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.091 -1.006 . . . . 0.0 111.107 -173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -149.13 130.77 14.95 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -122.03 122.11 38.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.663 -0.648 . . . . 0.0 110.025 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -71.14 -26.17 62.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.784 -0.572 . . . . 0.0 110.878 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -61.68 -48.5 80.5 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.438 -0.789 . . . . 0.0 110.76 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -124.1 9.66 8.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.525 -0.734 . . . . 0.0 111.251 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m 51.15 67.07 1.0 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.193 -0.942 . . . . 0.0 111.001 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.16 132.9 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.488 -0.757 . . . . 0.0 109.638 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -124.29 122.91 39.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -174.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -97.88 129.03 44.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 120.344 -0.543 . . . . 0.0 109.761 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.96 120.01 40.98 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.856 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -96.81 125.28 41.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.81 -0.556 . . . . 0.0 109.715 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.5 tp -102.01 152.17 21.28 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.852 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -9.41 12.54 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.998 -0.439 . . . . 0.0 111.871 -173.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -85.08 30.99 0.56 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.096 -1.002 . . . . 0.0 111.081 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.12 16.98 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.028 -1.045 . . . . 0.0 110.45 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -122.98 139.25 54.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.076 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -130.28 141.36 50.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.656 -0.652 . . . . 0.0 110.179 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -144.04 142.06 30.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.673 -0.642 . . . . 0.0 110.334 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -97.59 126.47 42.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.69 -0.631 . . . . 0.0 110.237 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.0 mt -128.93 133.01 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.659 -0.651 . . . . 0.0 109.395 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.9 t -77.06 136.99 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.647 -0.658 . . . . 0.0 109.264 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -64.41 -24.56 67.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.615 -0.678 . . . . 0.0 111.363 -172.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -58.4 -25.05 61.67 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.262 -0.899 . . . . 0.0 110.891 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.36 9.2 21.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.477 -0.764 . . . . 0.0 111.303 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.3 mt -77.35 112.97 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.221 -0.924 . . . . 0.0 109.807 174.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -81.75 -39.63 23.88 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.109 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -152.52 145.87 24.79 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.84 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.6 mt -126.83 144.2 51.04 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.785 -0.572 . . . . 0.0 110.913 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -148.0 159.06 44.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.746 -0.596 . . . . 0.0 109.82 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.35 130.02 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.581 -0.699 . . . . 0.0 109.498 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.498 1.928 0 O-C-N 121.631 -0.668 . . . . 0.0 110.005 -176.116 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.618 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 p -87.16 151.96 22.74 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.206 -1.173 . . . . 0.0 110.046 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -96.21 114.92 26.65 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.643 -0.661 . . . . 0.0 109.897 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.56 159.46 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.8 -0.562 . . . . 0.0 109.748 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -118.69 146.01 45.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.607 -0.683 . . . . 0.0 109.649 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -132.93 142.93 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.869 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -93.67 136.07 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.276 166.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.19 174.54 8.55 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.914 175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.87 -20.73 24.59 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 121.626 -0.671 . . . . 0.0 111.594 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -93.94 22.92 5.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.375 -0.828 . . . . 0.0 111.062 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.27 25.9 13.25 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.301 -0.874 . . . . 0.0 110.787 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -101.43 145.11 29.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.583 -0.698 . . . . 0.0 109.184 170.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -109.88 144.15 38.77 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.615 -0.678 . . . . 0.0 110.906 -173.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.91 142.71 34.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.775 -0.578 . . . . 0.0 109.967 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ptt85 -137.15 144.35 42.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.552 -0.718 . . . . 0.0 110.556 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.8 -172.02 44.24 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.26 138.21 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.528 -0.983 . . . . 0.0 109.574 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -78.35 139.07 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.538 -0.726 . . . . 0.0 109.967 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -125.13 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.667 -0.646 . . . . 0.0 111.575 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -136.97 148.05 46.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.092 -1.005 . . . . 0.0 111.099 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -149.16 130.51 14.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -122.08 122.0 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 110.104 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.79 -25.95 63.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.815 -0.553 . . . . 0.0 110.872 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.52 -49.31 77.23 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.423 -0.798 . . . . 0.0 110.848 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -123.99 10.37 8.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.564 -0.71 . . . . 0.0 111.342 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 51.25 67.01 1.01 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.083 -1.011 . . . . 0.0 110.955 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mm -114.32 133.47 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.582 -0.699 . . . . 0.0 109.671 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.56 125.49 44.27 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.646 -0.659 . . . . 0.0 110.227 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.71 129.86 47.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.796 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.9 120.02 41.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.884 -0.51 . . . . 0.0 110.004 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -95.88 124.08 39.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 tp -102.19 148.1 25.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 0.0 110.784 -174.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -7.56 15.03 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.905 -0.497 . . . . 0.0 111.953 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.85 29.35 0.81 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.037 -1.039 . . . . 0.0 110.982 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.41 27.78 17.31 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.05 -1.031 . . . . 0.0 110.516 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -120.45 141.86 49.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.466 -0.771 . . . . 0.0 110.112 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -128.91 145.49 51.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.681 -0.637 . . . . 0.0 110.241 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -143.99 142.07 30.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.68 -0.638 . . . . 0.0 110.577 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.4 p -110.02 118.8 37.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.787 -0.571 . . . . 0.0 109.855 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -129.02 130.96 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.586 -0.696 . . . . 0.0 109.493 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -72.35 136.35 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -62.57 -24.68 67.67 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.604 -0.685 . . . . 0.0 111.331 -173.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -57.59 -25.02 59.42 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 110.934 -175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -86.99 8.42 23.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.413 -0.805 . . . . 0.0 111.31 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.9 113.01 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.137 -0.977 . . . . 0.0 109.783 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -80.22 -39.67 28.64 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.843 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 59.8 m-20 -153.4 155.92 37.28 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.666 -176.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.58 144.12 47.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.607 -0.683 . . . . 0.0 110.936 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -147.1 158.16 43.85 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.755 -0.59 . . . . 0.0 109.749 171.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.9 mt -114.99 129.97 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.636 -0.665 . . . . 0.0 109.433 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt . . . . . 0 N--CA 1.499 2.02 0 O-C-N 121.673 -0.642 . . . . 0.0 110.022 -175.678 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.647 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -87.18 151.39 23.22 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.076 -1.249 . . . . 0.0 110.095 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -95.56 114.82 26.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.588 -0.695 . . . . 0.0 110.014 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -132.68 164.37 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.865 -0.522 . . . . 0.0 109.654 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -118.64 146.07 44.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.543 -0.723 . . . . 0.0 109.669 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -132.32 141.82 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -92.66 136.08 33.53 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.312 166.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.45 173.18 9.81 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.809 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.76 -21.69 30.21 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.644 -0.66 . . . . 0.0 111.448 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.71 24.84 5.0 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.506 -0.746 . . . . 0.0 111.026 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 59.11 26.61 15.35 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.257 -0.902 . . . . 0.0 110.91 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -101.73 142.62 32.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.468 -0.77 . . . . 0.0 109.28 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -109.88 138.82 45.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.541 -0.725 . . . . 0.0 110.97 -174.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.03 149.03 39.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.781 -0.575 . . . . 0.0 109.934 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -137.03 155.17 50.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.448 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.69 -179.8 48.67 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.61 132.65 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.615 -0.933 . . . . 0.0 109.358 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.09 135.95 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -125.09 -15.46 6.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.965 -0.459 . . . . 0.0 111.602 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -157.51 152.25 25.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.957 -1.09 . . . . 0.0 110.983 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -149.16 134.92 18.78 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.081 0.467 . . . . 0.0 109.765 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.06 125.22 45.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.725 -0.61 . . . . 0.0 109.605 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.3 p -78.86 -32.87 46.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.75 -0.593 . . . . 0.0 110.781 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.3 p -68.61 -34.58 76.01 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.683 -0.636 . . . . 0.0 110.606 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -124.02 -0.86 8.35 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.644 -0.66 . . . . 0.0 111.47 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m 53.08 67.04 1.06 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.033 -1.042 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mm -119.78 134.32 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.586 -0.696 . . . . 0.0 109.545 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -126.6 124.76 40.66 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.511 -0.743 . . . . 0.0 110.369 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -97.07 127.07 42.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.835 -0.541 . . . . 0.0 109.573 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -110.93 125.55 53.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.698 -0.626 . . . . 0.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -111.49 119.9 40.32 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.759 -0.588 . . . . 0.0 109.996 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -101.85 157.71 16.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.657 -0.652 . . . . 0.0 110.507 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.47 -2.18 8.15 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.923 -0.486 . . . . 0.0 112.145 -171.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -86.9 26.84 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.991 -1.068 . . . . 0.0 111.014 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.14 -0.975 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -123.39 138.19 54.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.379 -0.826 . . . . 0.0 110.241 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -132.26 147.17 52.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.721 -0.612 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -144.02 142.01 30.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.627 -0.671 . . . . 0.0 110.778 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.2 p -100.52 116.33 32.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.795 -0.566 . . . . 0.0 109.963 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.59 132.64 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.662 -0.649 . . . . 0.0 109.525 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.6 137.34 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.638 -0.664 . . . . 0.0 109.27 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -64.0 -24.67 67.81 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.558 -0.714 . . . . 0.0 111.25 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -59.11 -25.34 63.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.23 -0.919 . . . . 0.0 110.786 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.11 12.3 16.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.478 -0.764 . . . . 0.0 111.264 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.24 112.96 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.186 -0.946 . . . . 0.0 109.664 172.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -79.37 -40.35 30.37 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.889 170.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 59.8 m-20 -153.64 155.95 37.0 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.77 -175.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.95 144.27 47.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 110.946 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -148.51 159.05 44.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.801 -0.562 . . . . 0.0 109.646 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.5 mt -109.29 130.08 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 N--CA 1.498 1.974 0 O-C-N 121.719 -0.613 . . . . 0.0 110.196 -175.164 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.563 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.18 146.95 25.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.179 -1.189 . . . . 0.0 110.061 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.67 114.87 27.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.676 -0.64 . . . . 0.0 110.103 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.62 157.93 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.744 -0.597 . . . . 0.0 109.751 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -118.63 145.97 45.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.478 -0.764 . . . . 0.0 109.502 173.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.55 142.9 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.614 -0.678 . . . . 0.0 109.749 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.31 136.13 36.05 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.427 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.73 177.36 8.4 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.954 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.98 -21.85 46.55 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.805 -0.559 . . . . 0.0 111.523 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -98.72 24.33 7.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.52 -0.737 . . . . 0.0 111.156 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.81 25.66 12.23 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.325 -0.859 . . . . 0.0 110.74 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.61 133.42 42.18 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -109.68 139.12 45.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.5 -0.75 . . . . 0.0 110.422 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.08 146.15 35.11 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.81 -0.556 . . . . 0.0 110.02 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -138.64 147.45 42.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.555 -0.716 . . . . 0.0 110.441 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -172.54 44.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.71 143.26 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.615 -0.932 . . . . 0.0 109.71 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -80.9 139.88 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.597 -0.689 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -125.16 -36.22 2.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.596 -0.69 . . . . 0.0 111.545 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -138.58 145.79 41.02 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.031 -1.043 . . . . 0.0 111.068 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -149.07 127.48 12.25 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.872 -0.518 . . . . 0.0 109.603 172.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -122.06 122.09 38.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.639 -0.663 . . . . 0.0 110.116 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -68.78 -29.76 68.2 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.792 -0.568 . . . . 0.0 110.768 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -60.33 -47.54 85.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.545 -0.722 . . . . 0.0 110.94 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.99 9.07 8.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.569 -0.707 . . . . 0.0 111.252 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m 50.76 66.98 1.01 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.274 -0.891 . . . . 0.0 110.911 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.5 133.75 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -125.4 123.83 40.15 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.645 . . . . 0.0 110.353 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -101.25 128.38 47.41 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.774 173.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -110.94 120.01 40.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.827 -0.546 . . . . 0.0 109.935 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -98.06 126.26 43.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 109.857 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.2 tp -102.18 147.65 26.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.601 -0.687 . . . . 0.0 110.84 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.39 -8.94 15.06 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.932 -0.48 . . . . 0.0 111.859 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.28 30.15 0.71 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.079 -1.013 . . . . 0.0 111.013 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 61.65 27.81 17.13 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.97 -1.081 . . . . 0.0 110.568 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 m -121.53 139.1 53.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.0 110.014 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -132.36 143.87 50.14 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.684 -0.635 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -144.09 141.99 30.36 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.803 -0.56 . . . . 0.0 110.509 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.2 p -106.32 121.06 43.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.75 -0.594 . . . . 0.0 109.92 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -129.56 131.5 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.643 -0.661 . . . . 0.0 109.503 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.22 137.55 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 109.268 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -61.47 -24.5 66.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.545 -0.722 . . . . 0.0 111.408 -172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -57.53 -24.83 58.24 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.366 -0.834 . . . . 0.0 110.982 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.27 8.98 21.8 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.483 -0.761 . . . . 0.0 111.317 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.03 113.0 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.148 -0.97 . . . . 0.0 109.789 174.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -81.75 -39.55 23.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.064 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -152.66 144.65 23.73 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.621 -0.674 . . . . 0.0 110.88 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 mt -124.69 144.21 50.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.744 -0.597 . . . . 0.0 110.87 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.93 156.79 44.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.722 -0.611 . . . . 0.0 109.762 170.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -114.98 129.96 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.609 -0.682 . . . . 0.0 109.456 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 N--CA 1.498 1.944 0 O-C-N 121.639 -0.663 . . . . 0.0 109.817 -175.834 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.552 -1.419 . . . . 10.0 109.552 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.77 38.4 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.767 -0.843 . . . . 7.9000000000000004 110.264 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.5 ttt -133.87 151.32 51.49 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.714 -0.616 . . . . 8.5399999999999991 110.193 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -69.94 137.01 27.8 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.517 -1.433 . . . . 3.6499999999999999 109.517 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt -127.11 158.98 35.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 3.6699999999999999 110.295 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -121.26 158.28 28.46 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.733 -0.604 . . . . 1.4299999999999999 110.159 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.58 -32.43 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.655 -0.653 . . . . 1.73 110.043 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.632 -0.667 . . . . 1.4099999999999999 110.509 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.12 -39.27 93.67 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.57 -0.706 . . . . 1.52 110.318 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.635 -0.666 . . . . 1.0600000000000001 110.066 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 126.04 28.19 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.765 -0.585 . . . . 1.75 109.959 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.74 2.93 89.74 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.968 -0.853 . . . . 0.37 110.968 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -87.2 155.43 20.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.117 -1.225 . . . . 1.54 109.97 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -96.49 114.8 26.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.614 -0.679 . . . . 1.99 110.119 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.25 162.41 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.842 -0.536 . . . . 1.04 109.591 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -118.77 146.04 45.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.565 -0.709 . . . . 0.93999999999999995 109.428 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -134.13 142.87 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.581 -0.7 . . . . 1.02 109.902 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -93.1 136.1 33.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.173 -1.011 . . . . 1.1200000000000001 109.419 168.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.15 174.24 9.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.7 -0.8 . . . . 1.0600000000000001 110.09 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -56.48 -22.01 29.61 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.688 -0.632 . . . . 0.72999999999999998 111.611 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -95.5 24.31 5.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.509 -0.744 . . . . 1.5600000000000001 110.971 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.19 26.2 13.5 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 110.762 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 p -96.98 142.01 29.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.71999999999999997 109.103 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -109.9 139.27 45.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 2.6400000000000001 110.76 -175.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.99 148.14 38.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.763 -0.585 . . . . 1.1000000000000001 110.018 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -135.59 153.35 51.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.513 -0.742 . . . . 2.75 110.417 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 -179.36 48.76 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.491 -1.444 . . . . 0.31 109.491 176.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.18 133.28 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.681 -0.893 . . . . 1.05 109.382 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -65.71 136.9 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.598 -0.688 . . . . 1.1499999999999999 110.261 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -125.11 -16.53 6.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.965 -0.459 . . . . 0.96999999999999997 111.551 -178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -158.31 152.11 23.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.007 -1.058 . . . . 1.95 111.134 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -149.03 133.26 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.561 -0.533 . . . . 0.53000000000000003 109.561 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.08 122.75 39.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.652 . . . . 1.04 109.881 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -73.61 -29.55 62.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.755 -0.59 . . . . 1.53 110.778 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -63.73 -44.19 94.29 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.525 -0.735 . . . . 1.47 110.788 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.03 6.92 8.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.526 -0.734 . . . . 2.1800000000000002 111.377 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m 51.88 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.284 -0.885 . . . . 1.3500000000000001 111.047 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mm -116.65 132.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.547 -0.721 . . . . 1.0700000000000001 109.5 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.0 tp -124.72 124.24 41.73 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.71 -0.619 . . . . 1.03 110.307 -173.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -96.98 127.47 42.98 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.515 -0.55 . . . . 1.5600000000000001 109.515 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.8 mt -110.96 125.23 53.48 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.789 -0.57 . . . . 1.1200000000000001 110.098 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -111.95 120.27 41.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.766 -0.584 . . . . 3.6400000000000001 109.965 176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 tp -102.01 158.69 15.97 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.361 0.6 . . . . 1.23 110.528 -173.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.04 -1.2 6.98 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.872 -0.518 . . . . 1.05 112.142 -170.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -87.53 26.45 1.26 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.102 -0.999 . . . . 2.54 110.822 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.1 27.82 17.59 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.109 -0.994 . . . . 1.95 110.465 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -122.49 137.45 54.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.462 -0.774 . . . . 0.96999999999999997 110.189 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -131.82 146.48 52.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.757 -0.59 . . . . 1.1100000000000001 110.212 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -143.93 138.98 28.88 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.692 -0.63 . . . . 2.8300000000000001 110.493 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.0 p -96.54 119.73 35.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.711 -0.618 . . . . 0.87 109.988 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.9 mt -129.9 130.45 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.602 -0.686 . . . . 1.0700000000000001 109.5 -178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -72.7 136.27 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.58 -0.7 . . . . 1.1000000000000001 109.116 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -63.29 -24.59 67.93 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 0.97999999999999998 111.401 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.69 -25.21 62.62 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.363 -0.836 . . . . 3.3500000000000001 110.741 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -89.46 13.06 14.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.461 -0.774 . . . . 0.23999999999999999 111.274 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 94.8 mt -77.03 112.97 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.175 -0.953 . . . . 1.05 109.677 172.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -40.0 29.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 120.103 -0.639 . . . . 2.4100000000000001 110.023 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 60.0 m-20 -153.88 149.65 27.55 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.977 -0.689 . . . . 0.66000000000000003 110.864 -175.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.7 mt -128.34 144.2 51.1 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.771 -0.581 . . . . 1.0700000000000001 110.99 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -146.96 159.06 44.01 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.731 -0.605 . . . . 1.76 109.819 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -113.45 130.12 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.653 -0.654 . . . . 1.1000000000000001 109.331 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.12 147.28 42.25 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.565 -0.71 . . . . 1.1499999999999999 109.965 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -69.68 117.16 4.91 Favored 'Trans proline' 0 N--CA 1.487 1.104 0 O-C-N 123.496 1.261 . . . . 1.3600000000000001 110.38 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.68 -39.53 84.46 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.641 -0.662 . . . . 5.1600000000000001 110.171 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -157.34 164.64 37.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.825 -0.547 . . . . 6.3899999999999997 110.029 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -101.14 125.12 47.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.713 -0.617 . . . . 6.4800000000000004 110.218 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.54 -34.61 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.714 -0.616 . . . . 8.7699999999999996 109.825 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.9 mtt -104.11 161.75 21.99 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.693 -0.63 . . . . 11.48 110.357 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.52 152.68 80.29 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 O-C-N 123.738 1.388 . . . . 13.5 110.376 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -89.59 121.65 31.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.653 -0.655 . . . . 16.59 110.238 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -82.83 -33.04 27.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.687 -0.633 . . . . 16.510000000000002 110.301 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.01 -34.47 3.4 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.663 -1.375 . . . . 18.609999999999999 109.663 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -65.28 -33.12 75.22 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.634 -0.921 . . . . 19.600000000000001 110.446 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -77.78 152.74 33.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.644 -0.66 . . . . 21.149999999999999 110.196 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -74.95 163.28 69.24 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.768 -0.582 . . . . 21.440000000000001 110.232 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -66.34 143.58 70.78 Favored 'Trans proline' 0 N--CA 1.488 1.162 0 O-C-N 123.628 1.331 . . . . 22.239999999999998 110.446 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.693 -0.629 . . . . 22.489999999999998 110.297 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -133.03 167.87 19.51 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.717 -0.614 . . . . 23.07 110.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -92.81 124.02 36.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.691 -0.631 . . . . 24.539999999999999 110.164 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.9 p -146.45 163.72 34.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.742 -0.599 . . . . 22.940000000000001 110.228 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 19.6 m -84.63 -61.74 1.72 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.68 -0.637 . . . . 23.600000000000001 110.224 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -139.35 141.46 37.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.706 -0.621 . . . . 25.329999999999998 110.35 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -103.29 142.9 33.41 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.718 -0.614 . . . . 25.07 110.093 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -91.85 130.2 37.67 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.627 . . . . 24.960000000000001 110.078 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -66.28 -32.18 73.43 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.677 -0.639 . . . . 26.52 110.429 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.25 75.14 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 26.43 110.285 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -100.05 137.92 37.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.665 -0.647 . . . . 25.640000000000001 110.062 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -152.63 -46.65 0.1 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.674 -0.641 . . . . 26.399999999999999 110.337 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -111.71 145.62 38.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.638 -0.664 . . . . 28.77 110.295 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -137.51 166.62 23.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.711 -0.618 . . . . 26.399999999999999 110.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.5 p 48.77 96.56 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.387 0.613 . . . . 26.43 111.658 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.4 -41.18 98.47 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.589 -0.694 . . . . 28.52 110.582 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.29 -69.8 0.74 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.71 -0.619 . . . . 28.600000000000001 110.253 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -145.17 -63.12 0.34 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 28.739999999999998 110.173 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -138.8 -177.48 4.89 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.703 -0.623 . . . . 30.530000000000001 110.216 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -109.02 148.3 30.99 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.649 -0.657 . . . . 27.649999999999999 110.272 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.54 -36.2 83.11 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.665 -0.647 . . . . 28.460000000000001 110.383 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -84.12 132.98 34.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.597 -0.689 . . . . 27.989999999999998 110.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 90.7 m 52.12 -176.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.644 -0.66 . . . . 29.32 111.186 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.12 -37.34 17.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.685 . . . . 30.030000000000001 110.159 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -133.01 152.02 52.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.629 . . . . 31.82 110.145 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -96.33 132.13 42.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.748 -0.595 . . . . 31.629999999999999 110.092 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -148.95 164.02 35.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.703 -0.623 . . . . 32.520000000000003 110.182 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 52.53 51.94 15.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.55 -0.719 . . . . 33.100000000000001 110.851 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.84 -41.64 96.2 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.501 -0.749 . . . . 33.18 110.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.44 -165.91 0.06 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.625 -0.672 . . . . 34.659999999999997 111.052 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.81 28.36 4.36 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.659 -0.65 . . . . 35.380000000000003 110.666 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 t30 58.54 -79.37 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.804 -0.56 . . . . 36.560000000000002 111.426 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.05 -35.89 81.77 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.194 -0.941 . . . . 37.609999999999999 110.411 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -106.77 148.55 28.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.718 -0.613 . . . . 38.0 110.322 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 53.87 63.4 2.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.626 -0.671 . . . . 38.280000000000001 110.929 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -64.56 -38.02 89.56 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.544 -0.723 . . . . 40.200000000000003 110.33 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -159.82 59.4 0.37 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.712 -0.618 . . . . 39.350000000000001 110.141 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.6 tttp 53.21 36.43 22.54 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.386 -0.821 . . . . 40.390000000000001 110.8 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 53.61 32.09 13.78 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.569 -0.707 . . . . 43.619999999999997 110.984 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -139.35 143.25 37.68 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.617 -0.677 . . . . 42.270000000000003 110.164 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.57 137.98 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.672 -0.643 . . . . 42.630000000000003 110.183 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.45 -48.23 7.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.677 -0.639 . . . . 44.140000000000001 110.233 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.14 148.26 31.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.732 -0.605 . . . . 43.609999999999999 110.221 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -101.65 141.5 34.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.708 -0.62 . . . . 44.200000000000003 110.178 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -160.68 -42.64 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 45.5 110.595 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 51.98 93.65 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.512 -0.742 . . . . 43.259999999999998 111.036 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -37.4 84.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.674 -0.641 . . . . 45.07 110.222 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -137.12 158.53 44.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.665 -0.647 . . . . 44.630000000000003 110.348 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.505 2.311 0 CA-C-O 118.34 -0.838 . . . . 43.899999999999999 110.93 -179.553 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.85 36.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.726 -0.867 . . . . 0.0 110.229 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -65.91 -36.04 82.28 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.663 -0.648 . . . . 0.0 110.364 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -95.74 138.17 13.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm -126.25 157.36 38.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.638 -0.919 . . . . 0.0 110.167 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -120.93 148.99 43.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.646 -0.659 . . . . 0.0 110.307 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.12 -30.31 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.749 -0.595 . . . . 0.0 110.044 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -29.24 69.79 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.523 -0.736 . . . . 0.0 110.75 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -63.78 -39.66 94.8 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.565 -0.71 . . . . 0.0 110.319 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -83.23 -36.92 24.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.711 -0.618 . . . . 0.0 110.011 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 124.79 24.2 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.714 -0.616 . . . . 0.0 109.892 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.22 -0.16 89.41 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -87.16 148.03 25.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -1.201 . . . . 0.0 110.01 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -91.31 114.8 27.43 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.6 -0.687 . . . . 0.0 110.014 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -131.84 164.49 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.783 -0.573 . . . . 0.0 109.545 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -118.61 145.98 45.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.555 -0.716 . . . . 0.0 109.521 173.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.68 142.49 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.465 -0.772 . . . . 0.0 109.679 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.82 136.0 37.98 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.424 169.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.04 176.17 9.02 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.836 -0.746 . . . . 0.0 109.964 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.55 -22.46 44.76 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.718 -0.614 . . . . 0.0 111.481 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -100.7 25.49 7.81 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 111.234 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 59.05 26.06 14.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.175 -0.953 . . . . 0.0 110.952 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -98.13 132.91 43.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 167.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 14' ' ' LEU . 42.3 mttt -109.74 135.92 49.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.55 -0.719 . . . . 0.0 110.358 -171.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.14 151.08 41.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.797 -0.565 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -136.61 157.43 46.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.559 -0.713 . . . . 0.0 110.263 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.61 -177.92 48.56 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.1 132.59 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.894 . . . . 0.0 109.434 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.56 137.14 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.698 -0.626 . . . . 0.0 110.244 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.6 p -125.2 -16.11 6.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.903 -0.498 . . . . 0.0 111.604 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -158.19 151.86 23.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.985 -1.072 . . . . 0.0 111.132 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -149.08 132.66 16.76 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -122.12 123.16 40.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 109.828 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -74.39 -29.46 61.54 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.798 -0.563 . . . . 0.0 110.755 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -64.08 -42.83 96.8 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 110.734 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -124.0 5.09 8.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.566 -0.709 . . . . 0.0 111.463 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 52.11 67.1 1.03 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.116 -0.99 . . . . 0.0 111.091 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mm -117.8 132.46 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.523 -0.735 . . . . 0.0 109.579 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.72 123.57 40.28 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.712 -0.618 . . . . 0.0 110.309 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.91 128.66 44.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.813 -0.555 . . . . 0.0 109.587 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -112.22 126.0 54.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.759 -0.588 . . . . 0.0 110.091 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.5 ttt85 -112.2 121.35 44.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.757 -0.589 . . . . 0.0 109.933 177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 tp -102.02 158.0 16.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.536 -174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.38 -4.68 8.61 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.899 -0.5 . . . . 0.0 112.083 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.47 29.83 0.75 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.034 -1.041 . . . . 0.0 110.798 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.87 29.49 17.63 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.168 -0.957 . . . . 0.0 110.316 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.6 m -123.55 137.16 54.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.505 -0.747 . . . . 0.0 110.218 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -131.06 146.63 52.44 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.696 -0.627 . . . . 0.0 110.172 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -144.04 140.04 29.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.715 -0.616 . . . . 0.0 110.475 -178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -97.18 120.11 36.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.73 -0.606 . . . . 0.0 110.012 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.61 130.53 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.658 -0.651 . . . . 0.0 109.508 -178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.1 t -73.13 136.41 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -63.07 -24.57 67.97 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.557 -0.715 . . . . 0.0 111.346 -172.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.78 -25.28 62.93 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.278 -0.888 . . . . 0.0 111.039 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.11 10.53 18.93 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.489 -0.757 . . . . 0.0 111.289 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -76.13 112.92 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.19 -0.944 . . . . 0.0 109.722 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -81.45 -39.6 24.6 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 120.091 -0.643 . . . . 0.0 110.146 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -152.73 146.6 25.25 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.624 -0.673 . . . . 0.0 110.867 -173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.8 mt -127.81 144.24 51.09 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.696 -0.627 . . . . 0.0 110.892 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -149.04 159.0 44.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.737 -0.602 . . . . 0.0 109.819 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 68.7 mt -110.76 130.1 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.57 -0.706 . . . . 0.0 109.423 177.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.4 mt -88.19 154.04 51.69 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.618 -0.676 . . . . 0.0 110.097 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -62.78 155.36 60.04 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 O-C-N 123.553 1.291 . . . . 0.0 110.558 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -88.32 122.13 31.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.642 -0.661 . . . . 0.0 110.041 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -119.31 126.39 51.34 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.695 -0.628 . . . . 0.0 110.233 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -103.68 145.32 30.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.672 -0.643 . . . . 0.0 110.116 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 pt -123.95 154.93 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.621 -0.674 . . . . 0.0 110.312 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.71 155.81 92.86 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 121.7 -0.625 . . . . 0.0 110.281 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -66.68 139.23 52.06 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 O-C-N 123.662 1.349 . . . . 0.0 110.387 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -125.22 140.93 52.42 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.726 -0.609 . . . . 0.0 110.218 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -109.69 131.69 54.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 110.168 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.91 -175.22 47.19 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.1 p -123.65 166.12 16.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.689 -0.889 . . . . 0.0 110.145 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.34 26.39 5.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.685 -0.635 . . . . 0.0 110.746 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.28 -56.92 3.92 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.503 -0.748 . . . . 0.0 110.505 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -69.75 -29.15 24.37 Favored 'Trans proline' 0 N--CA 1.488 1.175 0 O-C-N 123.323 1.17 . . . . 0.0 110.631 -178.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.1 t -94.98 148.56 22.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.588 -0.695 . . . . 0.0 110.169 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -130.37 164.9 23.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.691 -0.631 . . . . 0.0 110.342 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -102.42 -167.57 1.42 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.712 -0.618 . . . . 0.0 110.456 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.3 p -64.9 -30.07 71.04 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.667 -0.646 . . . . 0.0 110.849 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.2 p -126.35 150.0 48.83 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.548 -0.72 . . . . 0.0 110.377 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -81.36 -31.64 33.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.735 -0.603 . . . . 0.0 110.427 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.85 132.87 36.62 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 110.146 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -99.59 30.24 3.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.673 -0.642 . . . . 0.0 110.48 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.3 p -67.35 -32.29 73.13 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.559 -0.713 . . . . 0.0 110.415 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.69 74.46 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.638 -0.664 . . . . 0.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -103.45 138.46 40.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.691 -0.63 . . . . 0.0 110.254 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.1 p -125.27 162.81 23.9 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.719 -0.613 . . . . 0.0 110.148 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.32 28.08 8.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.666 -0.646 . . . . 0.0 110.613 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.0 m -123.37 148.42 46.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.498 -0.751 . . . . 0.0 110.147 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.9 p -118.25 150.98 38.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.692 -0.63 . . . . 0.0 110.202 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -102.44 139.33 38.18 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.724 -0.61 . . . . 0.0 110.161 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -114.58 31.64 6.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.685 -0.634 . . . . 0.0 110.383 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -89.61 -67.97 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.634 -0.666 . . . . 0.0 110.166 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.29 139.46 49.95 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.622 -0.674 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -123.56 142.83 50.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.691 -0.63 . . . . 0.0 110.22 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.8 mtt -108.14 -39.54 5.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.668 -0.645 . . . . 0.0 110.162 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -95.74 132.93 40.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.699 -0.626 . . . . 0.0 110.155 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.1 t -122.8 120.97 35.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.729 -0.607 . . . . 0.0 110.135 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -96.2 144.51 26.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.76 -0.587 . . . . 0.0 110.248 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -104.76 140.75 37.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.705 -0.622 . . . . 0.0 110.098 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -121.32 139.35 53.53 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.674 -0.641 . . . . 0.0 110.226 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.29 152.97 35.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.689 -0.632 . . . . 0.0 110.108 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -85.63 99.69 11.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.706 -0.621 . . . . 0.0 110.144 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -163.01 119.88 1.88 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.736 -0.602 . . . . 0.0 110.161 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.77 148.98 27.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.254 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.78 -58.95 1.79 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.683 -0.635 . . . . 0.0 110.133 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -106.93 129.86 54.68 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.708 -0.62 . . . . 0.0 110.133 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -105.55 127.77 53.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.622 -0.673 . . . . 0.0 110.2 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.05 -67.55 0.43 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.679 -0.638 . . . . 0.0 110.076 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -131.22 27.7 4.78 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.607 -0.683 . . . . 0.0 110.545 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.83 -32.89 11.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.517 -0.739 . . . . 0.0 110.442 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -86.26 116.07 24.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.648 -0.658 . . . . 0.0 110.209 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -123.94 147.06 48.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.711 -0.618 . . . . 0.0 110.096 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -94.32 127.51 40.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.653 -0.654 . . . . 0.0 110.202 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -137.21 160.49 38.86 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.654 -0.654 . . . . 0.0 110.179 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.22 133.1 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.689 -0.632 . . . . 0.0 109.677 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -111.2 148.86 31.87 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.692 -0.63 . . . . 0.0 110.23 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -94.95 147.31 23.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.702 -0.624 . . . . 0.0 110.175 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -103.45 168.6 9.06 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.702 -0.624 . . . . 0.0 110.218 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 52.61 94.1 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.61 -0.681 . . . . 0.0 110.994 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -98.45 18.44 16.57 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.652 -0.655 . . . . 0.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -101.12 25.07 8.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.342 -0.848 . . . . 0.0 110.634 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -67.06 -38.59 86.08 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.441 -0.787 . . . . 0.0 110.257 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.196 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -88.95 112.07 22.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.669 -0.9 . . . . 0.0 110.118 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -66.88 -36.35 82.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.643 -0.661 . . . . 0.0 110.328 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.37 40.51 33.13 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -100.93 164.0 12.03 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.767 -0.843 . . . . 0.0 110.31 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -111.08 161.04 16.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.72 -0.613 . . . . 0.0 110.195 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.6 -30.79 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.629 -0.67 . . . . 0.0 110.187 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.07 70.73 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.19 -38.82 91.69 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.641 -0.662 . . . . 0.0 110.244 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -68.67 -31.67 70.95 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.688 -0.633 . . . . 0.0 110.219 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.95 126.88 29.4 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.645 -0.659 . . . . 0.0 110.146 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.44 1.25 75.07 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.3 p -87.17 150.0 24.25 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -1.179 . . . . 0.0 110.11 178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -96.91 114.95 26.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.624 -0.672 . . . . 0.0 110.015 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 m -129.68 163.9 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.856 -0.528 . . . . 0.0 109.6 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -118.64 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 109.236 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -135.43 140.8 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.627 -0.671 . . . . 0.0 109.725 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.4 mt -95.59 136.05 36.47 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.719 171.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 177.65 8.41 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.004 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -58.73 -21.56 55.53 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.704 -0.622 . . . . 0.0 111.539 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -99.17 24.26 8.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.415 -0.803 . . . . 0.0 111.139 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 58.16 25.63 12.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.297 -0.877 . . . . 0.0 110.776 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p -97.16 132.94 42.45 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HA ' HD21 ' A' ' 14' ' ' LEU . 75.7 mttt -109.76 139.09 45.22 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.49 -171.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 148.54 38.68 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.801 -0.562 . . . . 0.0 110.046 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -139.45 147.39 41.31 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.652 -0.655 . . . . 0.0 110.395 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -173.33 45.6 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.64 141.43 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.575 -0.956 . . . . 0.0 109.755 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -80.73 139.61 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.552 -0.717 . . . . 0.0 110.025 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.9 p -125.19 -36.16 2.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.738 -0.601 . . . . 0.0 111.483 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -139.28 150.14 45.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.139 -0.975 . . . . 0.0 111.063 -173.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -149.1 133.34 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.07 123.28 41.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.699 -0.626 . . . . 0.0 109.885 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -75.84 -30.51 58.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.775 -0.578 . . . . 0.0 110.727 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -66.82 -38.92 87.39 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.523 -0.736 . . . . 0.0 110.716 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.0 2.62 8.68 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.643 -0.66 . . . . 0.0 111.492 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 51.83 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 121.19 -0.943 . . . . 0.0 110.936 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mm -119.26 133.43 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.638 -0.664 . . . . 0.0 109.645 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -125.09 124.72 42.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.683 -0.635 . . . . 0.0 110.154 -174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -98.91 129.49 45.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.811 -0.556 . . . . 0.0 109.84 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.89 119.94 40.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.897 -0.502 . . . . 0.0 109.89 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -96.91 125.04 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.738 -0.601 . . . . 0.0 109.751 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.4 tp -102.1 151.05 22.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.709 -0.619 . . . . 0.0 110.773 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.44 -8.45 13.57 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.9 -0.5 . . . . 0.0 111.941 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -86.01 29.74 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.111 -0.993 . . . . 0.0 111.049 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 60.56 27.5 17.18 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.93 -1.106 . . . . 0.0 110.492 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -121.62 141.68 50.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.423 -0.798 . . . . 0.0 110.119 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.76 144.12 51.14 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.658 -0.651 . . . . 0.0 110.191 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -144.03 138.51 28.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.624 -0.672 . . . . 0.0 110.315 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -99.38 122.98 43.27 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.778 -0.576 . . . . 0.0 109.989 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.9 mt -128.87 131.52 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.668 -0.645 . . . . 0.0 109.455 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.6 t -74.85 136.24 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.634 -0.667 . . . . 0.0 109.22 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -64.5 -24.53 67.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.61 -0.681 . . . . 0.0 111.473 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.99 -24.72 59.32 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.256 -0.902 . . . . 0.0 110.825 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.51 9.5 20.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.481 -0.762 . . . . 0.0 111.368 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.08 112.98 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.124 -0.985 . . . . 0.0 109.802 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -82.38 -39.95 22.0 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.219 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -150.85 143.17 24.23 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.616 -0.678 . . . . 0.0 110.839 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.0 mt -123.5 144.18 49.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.732 -0.605 . . . . 0.0 110.878 -176.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -147.68 159.02 44.25 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.744 -0.597 . . . . 0.0 110.01 170.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.2 mt -113.46 130.01 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.606 -0.684 . . . . 0.0 109.356 176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.62 137.77 28.53 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.588 -0.695 . . . . 0.0 109.953 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -69.75 128.89 16.68 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 O-C-N 123.396 1.208 . . . . 0.0 110.301 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 52.73 -178.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.615 -0.678 . . . . 0.0 111.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -75.84 -37.55 58.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.652 -0.655 . . . . 0.0 110.219 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -120.0 149.16 42.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.658 -0.651 . . . . 0.0 110.218 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.46 135.5 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.629 -0.669 . . . . 0.0 109.675 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.7 mmt -114.47 154.82 46.51 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.7 -0.625 . . . . 0.0 110.18 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.6 136.06 35.11 Favored 'Trans proline' 0 N--CA 1.487 1.102 0 O-C-N 123.665 1.35 . . . . 0.0 110.316 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -66.49 -38.83 88.11 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.738 -0.601 . . . . 0.0 110.254 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -106.42 147.75 28.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.709 -0.619 . . . . 0.0 110.195 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.43 -152.61 5.91 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.9 p -100.89 32.41 3.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.766 -0.843 . . . . 0.0 110.351 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 53.79 47.13 24.34 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.559 -0.713 . . . . 0.0 110.806 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.4 p -82.06 155.53 69.91 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.64 -0.662 . . . . 0.0 110.268 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.71 -39.21 12.18 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.727 1.383 . . . . 0.0 110.561 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 t -160.01 40.86 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.605 -0.684 . . . . 0.0 110.39 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -117.41 143.32 46.13 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.552 -0.718 . . . . 0.0 110.112 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 54.28 43.24 30.83 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.488 -0.758 . . . . 0.0 110.71 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.7 p -126.7 159.9 32.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -109.91 142.24 41.54 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.642 -0.661 . . . . 0.0 110.133 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -88.32 132.8 34.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.684 -0.635 . . . . 0.0 110.168 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.3 tp -103.97 145.06 30.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.726 -0.609 . . . . 0.0 110.137 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -61.2 -32.62 72.37 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.643 -0.66 . . . . 0.0 110.623 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.2 m -63.14 -32.65 74.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.615 -0.678 . . . . 0.0 110.476 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -32.12 73.38 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.639 -0.663 . . . . 0.0 110.437 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -98.26 158.06 15.8 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.654 -0.653 . . . . 0.0 110.123 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.9 m -64.55 -40.06 94.9 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.647 -0.658 . . . . 0.0 110.344 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -159.15 -64.41 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.744 -0.598 . . . . 0.0 110.261 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -141.91 144.29 33.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.623 -0.673 . . . . 0.0 110.209 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -67.57 -35.51 79.15 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.594 -0.691 . . . . 0.0 110.16 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -105.41 157.63 17.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.728 -0.607 . . . . 0.0 110.187 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -96.17 110.77 22.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -101.42 147.9 25.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.664 -0.647 . . . . 0.0 110.223 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.4 m-90 -105.02 130.47 53.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.654 -0.654 . . . . 0.0 110.169 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.3 p -89.59 -33.07 16.83 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.699 -0.626 . . . . 0.0 110.375 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.5 mtt -66.79 -36.16 81.75 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.638 -0.663 . . . . 0.0 110.3 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.92 133.54 33.9 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.661 -0.65 . . . . 0.0 110.19 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.2 p -148.51 152.23 36.51 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.699 -0.626 . . . . 0.0 110.341 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -108.17 152.5 24.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.617 -0.677 . . . . 0.0 110.368 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -126.93 156.16 41.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.627 -0.671 . . . . 0.0 110.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -104.42 147.78 27.17 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.706 -0.621 . . . . 0.0 110.163 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -138.78 164.08 30.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.613 -0.679 . . . . 0.0 110.356 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -143.86 176.23 9.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.712 -0.617 . . . . 0.0 110.3 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -102.95 130.82 50.14 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.674 -0.641 . . . . 0.0 110.21 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.97 135.84 45.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.72 -0.612 . . . . 0.0 110.181 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.51 12.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.734 -0.604 . . . . 0.0 110.245 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.92 -33.63 76.48 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.635 -0.666 . . . . 0.0 110.465 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -93.56 141.36 28.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.746 -0.596 . . . . 0.0 110.176 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -99.09 146.41 26.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.751 -0.593 . . . . 0.0 110.204 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.88 151.27 21.93 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.658 -0.651 . . . . 0.0 110.136 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -98.5 25.43 6.38 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.636 -0.665 . . . . 0.0 110.718 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -94.61 130.74 40.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.501 -0.749 . . . . 0.0 110.174 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.7 163.21 24.01 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.621 -0.674 . . . . 0.0 110.146 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.2 tttp 65.39 -65.71 0.16 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 122.087 -0.383 . . . . 0.0 110.972 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -59.96 -30.4 69.07 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.379 -0.826 . . . . 0.0 110.742 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.4 t -92.52 138.43 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 0.0 109.717 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -110.04 152.83 25.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.706 -0.621 . . . . 0.0 110.248 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.39 73.78 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.764 -0.585 . . . . 0.0 110.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -96.87 153.98 17.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.666 -0.646 . . . . 0.0 110.081 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -103.29 130.93 50.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.248 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 117.67 22.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.725 -0.61 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.93 165.48 25.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.689 -0.632 . . . . 0.0 110.347 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -64.56 -34.37 78.09 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.635 -0.666 . . . . 0.0 110.384 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.506 2.36 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.987 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.43 75.29 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.617 -0.931 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.8 mtp -123.57 160.67 26.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.643 -0.661 . . . . 0.0 110.22 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -143.83 179.24 21.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt -101.81 145.63 28.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.905 . . . . 0.0 110.23 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -119.73 150.3 40.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.651 -0.656 . . . . 0.0 110.221 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.39 -31.03 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.727 -0.608 . . . . 0.0 110.121 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.75 71.03 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.559 -0.713 . . . . 0.0 110.63 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.42 -39.81 94.55 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.635 -0.666 . . . . 0.0 110.41 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.67 -31.28 57.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.647 -0.658 . . . . 0.0 110.28 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.51 128.1 34.89 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.596 -0.69 . . . . 0.0 110.023 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 2.27 90.42 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -87.18 141.6 28.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.255 -1.144 . . . . 0.0 110.081 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.39 114.8 27.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.603 -0.685 . . . . 0.0 109.621 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.8 m -133.94 163.86 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.675 -0.64 . . . . 0.0 109.939 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -118.67 146.13 44.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.539 -0.726 . . . . 0.0 109.557 173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.13 142.51 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.772 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -95.82 136.12 36.66 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.461 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.71 176.51 8.91 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.101 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -56.66 -22.62 35.91 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.696 -0.628 . . . . 0.0 111.461 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -100.22 25.45 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.532 -0.73 . . . . 0.0 111.019 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.13 25.83 12.94 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.294 -0.879 . . . . 0.0 110.742 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -93.78 132.97 37.65 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 14' ' ' LEU . 33.7 mttp -109.71 135.93 49.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.483 -171.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 153.0 43.79 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.792 -0.568 . . . . 0.0 109.822 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -143.24 152.79 42.11 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.566 -0.709 . . . . 0.0 110.668 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.85 -174.74 46.83 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.17 130.37 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.59 -0.947 . . . . 0.0 109.78 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.1 mt -69.61 141.81 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.663 -0.648 . . . . 0.0 110.027 -176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.6 p -125.19 -36.1 2.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.72 -0.613 . . . . 0.0 111.504 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -141.05 150.56 43.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.099 -1.001 . . . . 0.0 111.103 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -149.11 133.25 17.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.05 121.22 36.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.706 -0.622 . . . . 0.0 109.899 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -70.82 -26.15 63.17 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.869 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 t -61.52 -49.63 75.95 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.431 -0.793 . . . . 0.0 110.773 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -124.04 10.79 8.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.584 -0.698 . . . . 0.0 111.342 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m 51.31 67.0 1.02 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.252 -0.905 . . . . 0.0 111.177 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -115.79 131.81 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.471 -0.768 . . . . 0.0 109.684 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.34 123.7 41.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.785 -0.572 . . . . 0.0 110.242 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.04 127.68 43.25 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.793 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.2 mt -110.94 119.95 40.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.844 -0.535 . . . . 0.0 109.971 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -97.79 124.76 42.29 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.674 -0.641 . . . . 0.0 109.822 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.2 tp -102.09 149.69 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.694 -0.629 . . . . 0.0 110.835 -173.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.85 -9.27 14.1 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.973 -0.455 . . . . 0.0 111.847 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.75 31.03 0.62 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.144 -0.973 . . . . 0.0 110.978 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 57.89 29.45 17.59 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.03 -1.043 . . . . 0.0 110.335 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -121.62 141.17 51.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.069 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -128.77 142.84 50.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.619 -0.676 . . . . 0.0 110.175 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -144.04 137.5 27.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.322 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.0 p -99.19 122.71 42.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.697 -0.627 . . . . 0.0 109.976 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -128.29 134.89 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 109.481 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -78.79 135.92 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.614 -0.679 . . . . 0.0 109.322 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.6 p -63.57 -24.6 67.87 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.585 -0.697 . . . . 0.0 111.351 -172.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -58.29 -25.09 61.42 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.362 -0.836 . . . . 0.0 110.799 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -87.84 10.13 19.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.467 -0.771 . . . . 0.0 111.413 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.2 mt -78.52 112.97 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.213 -0.929 . . . . 0.0 109.831 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -82.04 -39.61 23.25 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.149 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -152.42 145.23 24.36 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.892 -173.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.5 mt -125.54 144.24 50.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.764 -0.585 . . . . 0.0 110.788 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -147.59 159.02 44.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.6 -0.688 . . . . 0.0 109.824 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 83.1 mt -112.89 130.06 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.614 -0.679 . . . . 0.0 109.411 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.98 153.46 39.87 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.691 -0.63 . . . . 0.0 110.129 -176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.39 83.37 0.81 Allowed 'Trans proline' 0 N--CA 1.487 1.094 0 O-C-N 123.685 1.361 . . . . 0.0 110.313 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -134.22 157.3 46.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.48 -0.762 . . . . 0.0 110.209 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.2 t30 54.86 42.24 31.28 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.508 -0.745 . . . . 0.0 110.749 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -32.32 73.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.679 -0.638 . . . . 0.0 110.43 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.7 mt -107.05 140.71 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.652 -0.655 . . . . 0.0 109.68 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -88.26 163.58 36.31 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.747 -0.596 . . . . 0.0 110.199 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -65.54 -31.36 50.91 Favored 'Trans proline' 0 N--CA 1.489 1.243 0 O-C-N 123.663 1.349 . . . . 0.0 110.679 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -87.65 126.18 34.81 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.649 -0.657 . . . . 0.0 110.152 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -90.97 -34.57 15.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.749 -0.595 . . . . 0.0 110.227 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.28 77.39 1.36 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -89.86 140.39 29.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.613 -0.933 . . . . 0.0 110.224 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -90.62 136.75 32.86 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.817 -0.552 . . . . 0.0 110.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -124.2 87.8 53.32 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.648 -0.657 . . . . 0.0 110.193 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -66.19 -31.79 43.98 Favored 'Trans proline' 0 N--CA 1.49 1.283 0 O-C-N 123.543 1.286 . . . . 0.0 110.521 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.7 t -86.31 173.91 9.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.583 -0.698 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.2 p -98.98 30.98 3.16 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.762 -0.586 . . . . 0.0 110.507 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -100.31 32.86 2.86 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.579 -0.701 . . . . 0.0 110.295 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -64.47 -29.35 70.39 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.63 -0.669 . . . . 0.0 110.652 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -64.0 -36.33 83.63 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.592 -0.692 . . . . 0.0 110.293 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 52.77 93.85 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.634 -0.667 . . . . 0.0 111.071 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.26 -34.44 78.35 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.654 -0.654 . . . . 0.0 110.28 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.0 mttt 53.31 43.2 31.76 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.595 -0.691 . . . . 0.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -63.73 -35.85 81.92 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.568 -0.708 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.31 74.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.65 -0.656 . . . . 0.0 110.242 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.16 -32.69 74.29 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.703 -0.623 . . . . 0.0 110.288 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.1 m -65.41 -40.75 93.79 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.613 -0.68 . . . . 0.0 110.276 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.2 -42.75 83.65 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.705 -0.622 . . . . 0.0 110.231 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.1 p -146.74 155.27 42.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.716 -0.615 . . . . 0.0 110.063 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 t -120.93 141.79 50.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.669 -0.644 . . . . 0.0 110.328 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -134.76 145.63 48.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.701 -0.625 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -107.35 117.81 35.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.745 -0.597 . . . . 0.0 110.227 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -65.93 -35.84 81.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.707 -0.621 . . . . 0.0 110.326 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.4 m-90 -110.83 140.29 45.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.664 -0.647 . . . . 0.0 110.208 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.6 p -103.07 28.57 6.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.671 -0.643 . . . . 0.0 110.545 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 23.1 ttt -66.29 -34.95 79.16 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.596 -0.69 . . . . 0.0 110.266 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -106.05 162.01 13.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.643 -0.661 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.0 -48.41 4.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.757 -0.589 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.63 -59.74 1.13 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.654 -0.653 . . . . 0.0 110.16 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -106.18 138.12 42.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.679 -0.638 . . . . 0.0 110.178 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -70.14 -38.98 75.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.676 -0.64 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -162.52 -46.36 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.662 -0.649 . . . . 0.0 110.334 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.06 145.39 53.51 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.63 -0.669 . . . . 0.0 110.239 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -133.58 161.4 34.71 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.708 -0.62 . . . . 0.0 110.211 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.08 144.96 53.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.643 -0.661 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.92 74.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.719 -0.613 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -95.82 154.59 17.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.609 -0.682 . . . . 0.0 110.308 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.0 mt -102.22 129.84 48.72 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.661 -0.649 . . . . 0.0 110.229 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.94 -34.07 74.75 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.691 -0.631 . . . . 0.0 110.186 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -96.29 170.73 9.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.725 -0.609 . . . . 0.0 110.137 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -63.99 -37.04 85.96 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.651 -0.656 . . . . 0.0 110.47 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -150.04 29.22 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.628 -0.67 . . . . 0.0 110.48 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 tttp 52.05 89.9 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.496 -0.753 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -93.02 128.52 38.92 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.663 -0.648 . . . . 0.0 110.106 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -120.09 147.31 45.01 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.648 -0.658 . . . . 0.0 110.211 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.97 -24.58 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.711 -0.618 . . . . 0.0 110.757 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.49 -39.12 92.48 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.476 -0.765 . . . . 0.0 110.601 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.01 95.01 9.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.662 -0.649 . . . . 0.0 110.208 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.86 -34.69 75.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.715 -0.615 . . . . 0.0 110.188 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.14 150.09 26.16 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.691 -0.631 . . . . 0.0 110.288 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -138.21 158.91 43.37 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.675 -0.641 . . . . 0.0 110.33 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -98.84 29.34 3.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.745 -0.597 . . . . 0.0 110.609 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -91.29 132.51 36.1 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.598 -0.689 . . . . 0.0 110.148 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.195 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.28 141.93 35.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.603 -0.939 . . . . 0.0 110.208 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.61 -34.67 78.77 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.626 -0.671 . . . . 0.0 110.337 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 101.26 -34.5 5.6 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtm -127.17 157.5 39.57 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.63 -0.924 . . . . 0.0 110.147 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -120.62 151.06 39.94 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.648 -0.658 . . . . 0.0 110.279 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.5 -31.34 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.74 -0.6 . . . . 0.0 110.057 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.5 70.73 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.602 -0.686 . . . . 0.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -64.32 -39.7 94.42 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.573 -0.704 . . . . 0.0 110.353 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.12 -31.88 68.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.709 -0.619 . . . . 0.0 110.212 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -72.37 131.1 42.18 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.535 -0.728 . . . . 0.0 109.811 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.52 0.85 88.02 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -87.19 149.07 24.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.232 -1.158 . . . . 0.0 110.113 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.65 114.86 26.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 109.949 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -129.48 162.24 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.762 -0.586 . . . . 0.0 109.754 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -118.68 146.02 45.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.578 -0.701 . . . . 0.0 109.706 174.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.7 p -133.49 143.27 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 110.019 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.6 mt -93.76 136.07 34.42 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.356 167.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.16 175.46 8.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.868 174.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.75 -20.61 36.13 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.713 -0.617 . . . . 0.0 111.589 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -95.16 23.74 5.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.434 -0.791 . . . . 0.0 111.031 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.56 25.76 13.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.39 -0.819 . . . . 0.0 110.783 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -100.9 143.35 31.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.516 -0.74 . . . . 0.0 109.172 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -109.9 141.12 43.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.525 -0.735 . . . . 0.0 110.964 -174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.36 146.26 44.3 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.811 -0.556 . . . . 0.0 109.882 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -138.39 144.51 40.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.525 -0.735 . . . . 0.0 110.578 -177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -175.0 47.06 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.82 138.3 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.72 -0.871 . . . . 0.0 109.742 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.8 mt -80.49 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.587 -0.696 . . . . 0.0 110.112 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.7 p -125.22 -36.17 2.54 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.723 -0.611 . . . . 0.0 111.638 179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.131 -0.98 . . . . 0.0 111.166 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -149.13 129.47 13.79 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.07 121.53 37.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.742 -0.599 . . . . 0.0 110.03 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.5 m -69.41 -29.96 67.81 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.746 -0.597 . . . . 0.0 110.696 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -60.33 -47.58 85.45 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 0.0 110.941 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -123.98 8.96 8.7 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 111.359 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m 51.27 67.05 1.01 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.99 134.58 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.0 109.728 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 tp -124.59 125.42 44.14 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 110.212 -175.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -102.92 129.0 49.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.737 -0.602 . . . . 0.0 109.89 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.88 122.25 47.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.851 -0.53 . . . . 0.0 110.191 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -95.17 124.22 39.09 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.741 -0.6 . . . . 0.0 109.715 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.9 tp -102.08 149.52 24.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.763 -0.585 . . . . 0.0 110.777 -174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.48 -7.55 14.88 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.953 -0.467 . . . . 0.0 111.919 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.83 28.68 0.87 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.039 -1.038 . . . . 0.0 110.981 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 t0 61.21 28.02 17.67 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.958 -1.089 . . . . 0.0 110.466 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.2 m -118.71 143.96 46.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.341 -0.849 . . . . 0.0 110.267 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -123.18 145.86 48.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.674 -0.641 . . . . 0.0 110.085 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -144.1 141.96 30.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.639 -0.663 . . . . 0.0 110.65 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.0 p -115.88 116.89 28.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.812 -0.555 . . . . 0.0 109.833 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.24 131.22 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 109.516 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.37 136.72 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.618 -0.676 . . . . 0.0 109.25 178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.0 p -62.4 -24.6 67.48 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.606 -0.684 . . . . 0.0 111.433 -172.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -57.25 -25.07 58.57 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.25 -0.906 . . . . 0.0 111.039 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -87.44 9.46 20.72 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.388 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 84.5 mt -78.87 113.0 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.181 -0.949 . . . . 0.0 109.792 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -81.57 -38.78 25.58 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.154 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.428 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 61.2 m-20 -153.35 147.94 26.18 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.853 -175.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.1 mt -127.77 144.15 51.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.779 -0.576 . . . . 0.0 110.898 -177.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -146.28 159.02 43.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.73 -0.606 . . . . 0.0 109.722 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.4 mt -113.39 130.05 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.458 -0.776 . . . . 0.0 109.379 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.8 mt -92.31 128.8 43.48 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.751 -0.593 . . . . 0.0 110.039 -174.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -68.69 158.5 57.53 Favored 'Trans proline' 0 N--CA 1.489 1.223 0 O-C-N 123.36 1.19 . . . . 0.0 110.301 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -87.33 123.73 32.61 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.639 -0.663 . . . . 0.0 110.118 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.98 -34.48 19.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.648 -0.658 . . . . 0.0 110.334 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -108.91 137.42 46.87 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.732 -0.605 . . . . 0.0 110.322 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.51 134.34 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.665 -0.647 . . . . 0.0 109.562 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.7 ttt -101.62 117.15 62.42 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 110.067 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.09 -34.48 16.73 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 O-C-N 123.364 1.191 . . . . 0.0 110.385 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -65.3 -37.6 87.64 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.504 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 51.87 -173.48 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.578 -0.701 . . . . 0.0 111.079 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.52 78.91 0.44 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.9 p -69.43 -33.71 73.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.661 -0.905 . . . . 0.0 110.205 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.16 141.93 35.02 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.66 -0.65 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -126.93 84.29 63.67 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.709 -0.62 . . . . 0.0 110.132 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.63 -31.26 86.63 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 O-C-N 123.57 1.3 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m 52.38 94.1 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.58 -0.7 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -120.91 143.39 48.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.666 -0.646 . . . . 0.0 110.067 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 58.01 167.7 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.582 -0.699 . . . . 0.0 110.923 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -115.73 150.94 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.604 -0.685 . . . . 0.0 110.179 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.3 m -84.03 143.24 29.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.67 -0.644 . . . . 0.0 110.098 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -63.03 -36.79 84.73 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.65 -0.656 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.1 128.96 51.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.744 -0.598 . . . . 0.0 110.105 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -139.03 144.24 38.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.671 -0.643 . . . . 0.0 110.192 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -63.27 -34.92 78.72 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.642 -0.662 . . . . 0.0 110.467 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.29 71.97 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.719 -0.613 . . . . 0.0 110.413 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 52.63 -170.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.518 -0.739 . . . . 0.0 111.009 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 m -86.55 142.84 28.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.746 -0.597 . . . . 0.0 110.18 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -96.59 132.29 42.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.704 -0.622 . . . . 0.0 110.228 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -135.13 -62.54 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.686 -0.634 . . . . 0.0 110.296 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.6 p -125.17 151.55 45.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.612 -0.68 . . . . 0.0 110.227 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -120.61 34.3 5.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.078 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.76 -33.17 75.05 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.619 -0.676 . . . . 0.0 110.569 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -92.83 127.86 38.49 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.653 -0.655 . . . . 0.0 110.258 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -98.47 -53.13 3.42 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.621 -0.674 . . . . 0.0 110.231 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.8 m -117.12 145.85 43.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.617 -0.677 . . . . 0.0 110.228 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.1 mmm -66.83 -36.91 83.44 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.761 -0.587 . . . . 0.0 110.381 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.85 132.95 35.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 94.9 m -108.13 -34.44 6.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.666 -0.646 . . . . 0.0 110.263 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.4 172.27 8.5 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.733 -0.604 . . . . 0.0 110.42 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -101.63 150.98 22.55 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.7 -0.625 . . . . 0.0 110.135 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -88.51 149.39 23.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.649 -0.657 . . . . 0.0 110.171 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -100.58 122.33 43.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.775 -0.578 . . . . 0.0 110.306 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -162.57 158.95 24.12 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.726 -0.608 . . . . 0.0 110.177 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -120.16 151.61 38.86 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.679 -0.638 . . . . 0.0 110.211 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.47 72.74 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.713 -0.617 . . . . 0.0 110.343 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.68 146.86 24.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.671 -0.643 . . . . 0.0 110.226 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -101.25 137.06 40.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.711 -0.618 . . . . 0.0 110.248 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.31 137.84 33.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.698 -0.626 . . . . 0.0 110.099 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -65.19 139.26 58.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.639 -0.663 . . . . 0.0 110.355 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -130.37 158.41 39.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.692 -0.63 . . . . 0.0 110.182 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -128.89 162.84 26.58 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.665 -0.647 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.75 87.17 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -107.54 142.66 37.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.588 -0.695 . . . . 0.0 110.26 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -102.99 141.18 36.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.742 -0.599 . . . . 0.0 110.177 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -65.56 -37.65 87.29 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.675 -0.64 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.66 158.8 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.664 -0.647 . . . . 0.0 110.146 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -104.03 127.16 51.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 110.141 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.84 19.48 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.666 -0.646 . . . . 0.0 110.236 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.1 -37.41 83.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.673 -0.642 . . . . 0.0 110.251 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.0 t80 56.12 173.12 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.531 -0.731 . . . . 0.0 110.921 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -149.7 148.62 29.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.451 -0.781 . . . . 0.0 110.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -141.21 146.61 37.12 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.7 -0.625 . . . . 0.0 110.203 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -102.48 -39.78 6.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.723 -0.611 . . . . 0.0 110.134 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.314 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.25 32.89 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.89 . . . . 0.0 110.248 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.9 tpt -157.26 -46.14 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.628 -0.67 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -65.87 -34.9 89.94 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp -100.85 135.3 42.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.701 -0.882 . . . . 0.0 110.156 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -126.04 150.87 47.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 110.234 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.74 -32.15 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.71 -0.619 . . . . 0.0 109.977 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -30.03 70.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.614 -0.679 . . . . 0.0 110.658 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.97 -39.58 94.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.582 -0.699 . . . . 0.0 110.409 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -71.72 -31.38 66.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.729 -0.607 . . . . 0.0 110.231 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.6 124.05 21.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.494 -0.754 . . . . 0.0 110.125 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -2.87 75.15 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.9 p -87.17 152.98 21.86 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.121 -1.223 . . . . 0.0 110.004 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -96.89 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.86 161.09 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.685 177.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -118.65 145.64 45.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.493 -0.754 . . . . 0.0 109.415 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -134.0 141.91 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.522 -0.736 . . . . 0.0 109.666 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.4 136.05 37.43 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.499 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.22 176.07 9.0 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.856 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.7 -22.04 44.02 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.741 -0.599 . . . . 0.0 111.552 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -100.48 25.96 7.17 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.467 -0.77 . . . . 0.0 111.284 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.77 25.91 14.07 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.282 -0.886 . . . . 0.0 110.941 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.4 p -99.41 132.92 44.41 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HA ' HD21 ' A' ' 14' ' ' LEU . 74.6 mttt -109.74 138.21 46.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.607 -0.683 . . . . 0.0 110.403 -171.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 146.78 35.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.705 -0.622 . . . . 0.0 110.1 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -137.5 149.85 47.11 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.61 -0.681 . . . . 0.0 110.467 -178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.75 -172.05 44.29 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.03 140.83 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.576 -0.955 . . . . 0.0 109.606 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.5 mt -80.48 139.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.614 -0.679 . . . . 0.0 109.967 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 p -125.14 -36.14 2.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.611 -0.681 . . . . 0.0 111.589 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -137.03 146.71 45.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.987 . . . . 0.0 111.08 -172.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -121.98 121.0 36.06 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.661 -0.649 . . . . 0.0 109.981 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -69.95 -32.24 70.39 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.737 -0.602 . . . . 0.0 110.7 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -62.35 -44.63 96.03 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.525 -0.735 . . . . 0.0 110.846 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 11.11 8.89 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 111.346 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.3 p 46.7 66.71 0.92 Allowed 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.546 -0.722 . . . . 0.0 111.558 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.2 mm -115.02 133.3 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.46 -0.775 . . . . 0.0 109.713 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.88 124.87 42.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.747 -0.596 . . . . 0.0 110.275 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -102.39 129.39 48.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.789 -0.569 . . . . 0.0 109.798 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -110.94 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.75 -0.594 . . . . 0.0 109.997 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -96.74 125.16 41.0 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.828 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.0 tp -102.06 148.81 24.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.6 -0.687 . . . . 0.0 110.851 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -9.63 15.21 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.895 -0.503 . . . . 0.0 111.767 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.63 31.08 0.61 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.087 -1.008 . . . . 0.0 111.005 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.11 29.42 17.82 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.123 -0.986 . . . . 0.0 110.436 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -121.28 140.48 52.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -129.62 144.96 51.51 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.72 -0.613 . . . . 0.0 110.23 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -144.01 142.11 30.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.708 -0.62 . . . . 0.0 110.499 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -107.68 120.87 43.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.746 -0.596 . . . . 0.0 109.886 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.36 129.98 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 36.8 t -71.67 137.44 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.281 179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -62.18 -24.46 67.21 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.6 -0.687 . . . . 0.0 111.423 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.6 -25.53 60.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.252 -0.905 . . . . 0.0 110.891 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.44 9.61 20.24 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.511 -0.743 . . . . 0.0 111.31 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -78.01 112.94 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.185 -0.947 . . . . 0.0 109.786 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -81.83 -39.01 24.62 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.157 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -153.1 146.28 24.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.6 -0.688 . . . . 0.0 110.961 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.17 144.2 51.09 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.834 -176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -149.01 159.08 44.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.649 -0.657 . . . . 0.0 110.057 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.58 129.95 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.599 -0.688 . . . . 0.0 109.282 174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -77.35 151.66 81.0 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.627 -0.67 . . . . 0.0 110.336 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -73.03 -9.0 23.07 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 O-C-N 123.64 1.337 . . . . 0.0 111.57 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.0 mttt 53.02 -170.5 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.187 -0.946 . . . . 0.0 110.833 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -74.03 149.01 41.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.682 -0.636 . . . . 0.0 110.181 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -92.67 139.36 30.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 110.169 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.83 -34.06 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.712 -0.617 . . . . 0.0 109.817 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.5 ptm -66.31 154.87 89.52 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.648 -0.657 . . . . 0.0 110.468 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -67.8 160.23 49.25 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 O-C-N 123.597 1.314 . . . . 0.0 110.34 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -88.65 169.3 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.622 -0.674 . . . . 0.0 110.187 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 t30 54.84 40.98 32.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.629 -0.669 . . . . 0.0 110.836 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.17 34.09 1.11 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -126.87 135.49 51.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.592 -0.946 . . . . 0.0 110.145 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -65.92 -39.05 90.2 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.703 -0.623 . . . . 0.0 110.282 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 159.43 0.1 Allowed Pre-proline 0 N--CA 1.508 2.429 0 O-C-N 121.783 -0.573 . . . . 0.0 110.957 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -67.67 146.38 73.0 Favored 'Trans proline' 0 N--CA 1.487 1.145 0 O-C-N 123.506 1.266 . . . . 0.0 110.373 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -102.09 89.91 3.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.712 -0.617 . . . . 0.0 110.186 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -141.19 158.53 43.78 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.557 -0.715 . . . . 0.0 110.367 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -106.64 128.22 53.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.651 -0.655 . . . . 0.0 110.096 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -131.9 152.93 50.73 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.665 -0.647 . . . . 0.0 110.216 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 p -78.39 -31.82 48.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.763 -0.586 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.86 -36.54 84.25 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.673 -0.642 . . . . 0.0 110.493 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.89 121.81 44.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.74 -0.6 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 57.0 pttt -142.15 164.97 28.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.711 -0.618 . . . . 0.0 110.403 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.7 m -64.3 -28.33 69.64 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.795 -0.565 . . . . 0.0 110.889 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.75 76.03 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.454 -0.779 . . . . 0.0 110.636 -177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.67 145.12 52.63 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.646 -0.659 . . . . 0.0 110.159 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.7 m -91.99 131.45 37.28 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.711 -0.618 . . . . 0.0 110.148 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -67.65 -38.79 84.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.652 -0.655 . . . . 0.0 110.41 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.4 m -119.05 152.93 35.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.66 -0.65 . . . . 0.0 110.325 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.1 t -70.16 149.2 47.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.691 -0.63 . . . . 0.0 110.21 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -64.4 -41.1 96.83 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.656 -0.652 . . . . 0.0 110.411 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -133.1 153.37 51.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.713 -0.617 . . . . 0.0 110.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -98.6 136.47 38.64 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.687 -0.633 . . . . 0.0 110.046 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -67.43 -47.08 71.26 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.708 -0.62 . . . . 0.0 110.363 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.3 p -155.8 164.19 38.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 110.284 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 90.3 mtp -125.97 143.46 51.09 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.679 -0.638 . . . . 0.0 110.118 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -97.96 132.9 43.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.675 -0.64 . . . . 0.0 110.158 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.1 t -138.04 121.76 17.51 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.703 -0.623 . . . . 0.0 110.17 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -143.35 -63.06 0.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.631 -0.668 . . . . 0.0 110.273 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -107.86 149.61 28.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.664 -0.647 . . . . 0.0 110.118 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 55.41 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.668 -0.645 . . . . 0.0 110.864 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -98.83 130.55 45.26 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.648 -0.658 . . . . 0.0 110.23 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -96.57 151.57 19.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.71 -0.619 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.38 130.52 49.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.215 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.51 155.15 40.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.724 -0.61 . . . . 0.0 110.167 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.14 136.92 39.3 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.641 -0.662 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -128.85 125.67 38.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.79 -0.569 . . . . 0.0 110.453 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.0 mt -102.97 133.65 47.72 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -122.8 142.98 50.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.641 . . . . 0.0 110.209 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -160.07 -61.37 0.06 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.673 -0.642 . . . . 0.0 110.149 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -87.68 -31.95 19.47 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.652 -0.655 . . . . 0.0 110.457 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.13 116.51 27.45 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.651 -0.655 . . . . 0.0 110.141 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -124.21 145.29 49.44 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.761 -0.587 . . . . 0.0 110.191 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -96.75 141.37 30.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.696 -0.628 . . . . 0.0 110.138 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -101.2 114.85 29.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.755 -0.59 . . . . 0.0 110.159 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.21 145.72 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.618 -0.676 . . . . 0.0 110.272 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.51 -36.66 71.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.682 -0.636 . . . . 0.0 110.198 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -107.28 153.13 23.17 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.63 -0.668 . . . . 0.0 110.255 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -96.98 146.03 25.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.68 -0.637 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -128.64 166.65 18.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 110.281 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -111.95 146.16 38.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.705 -0.622 . . . . 0.0 110.21 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.4 -33.11 74.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.741 -0.599 . . . . 0.0 110.314 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 53.22 39.72 30.14 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.575 -0.703 . . . . 0.0 110.896 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.184 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.82 145.52 29.98 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.889 . . . . 0.0 110.184 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.0 mmm -118.47 149.87 40.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.703 -0.623 . . . . 0.0 110.191 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 83.44 -164.81 42.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mmm -116.44 152.6 33.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.645 -0.915 . . . . 0.0 110.106 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -121.79 147.71 45.6 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.721 -0.612 . . . . 0.0 110.305 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.0 -31.75 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.696 -0.627 . . . . 0.0 109.935 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -30.01 70.44 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.694 -0.629 . . . . 0.0 110.362 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -73.61 -33.29 64.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.726 -0.608 . . . . 0.0 110.169 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.11 144.82 51.96 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.723 -0.611 . . . . 0.0 109.763 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.91 6.41 89.12 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -176.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -87.11 156.07 19.87 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.185 -1.186 . . . . 0.0 110.158 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -96.96 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.707 -0.621 . . . . 0.0 110.129 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.27 163.23 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -118.68 146.04 45.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.541 -0.724 . . . . 0.0 109.247 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -133.57 142.71 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 109.648 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.64 136.04 37.73 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.43 169.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -82.84 176.98 8.88 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.984 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.54 -21.89 41.1 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.723 -0.611 . . . . 0.0 111.516 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -102.63 27.41 6.94 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.406 -0.809 . . . . 0.0 111.16 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.7 26.06 14.14 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.149 -0.97 . . . . 0.0 110.902 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -97.69 134.94 40.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HA ' HD21 ' A' ' 14' ' ' LEU . 22.4 mtmm -109.7 138.34 46.22 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.436 -171.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 145.76 34.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.768 -0.583 . . . . 0.0 110.083 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -138.03 148.14 44.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.603 -0.686 . . . . 0.0 110.67 -177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.77 -173.65 45.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.201 -1.559 . . . . 0.0 109.201 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.0 t -91.83 139.57 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.564 -0.962 . . . . 0.0 109.766 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -81.9 135.19 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.632 -0.667 . . . . 0.0 109.944 -179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -125.23 -36.2 2.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.616 -0.678 . . . . 0.0 111.845 -176.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -140.98 155.12 46.28 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.944 -1.098 . . . . 0.0 111.247 -171.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -149.14 140.54 23.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.915 -0.491 . . . . 0.0 109.695 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -122.08 121.39 36.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.742 -0.599 . . . . 0.0 109.81 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -73.23 -29.88 63.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.755 -0.591 . . . . 0.0 110.698 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -64.73 -43.59 92.88 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.583 -0.698 . . . . 0.0 110.787 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -124.06 6.94 8.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.515 -0.74 . . . . 0.0 111.471 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m 51.38 67.01 1.02 Allowed 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.209 -0.932 . . . . 0.0 111.07 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mm -120.86 131.95 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -118.84 129.25 55.12 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.668 -0.645 . . . . 0.0 110.163 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -96.97 129.57 44.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.713 -0.617 . . . . 0.0 109.696 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -110.87 119.98 40.87 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.821 -0.549 . . . . 0.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -95.64 123.91 39.42 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.805 177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 tp -102.03 151.74 21.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.718 -0.614 . . . . 0.0 110.83 -174.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.43 -5.98 12.94 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.89 -0.506 . . . . 0.0 111.92 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.81 28.14 0.92 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.119 -0.988 . . . . 0.0 110.924 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 t70 60.95 27.63 17.48 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.978 -1.076 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 m -121.15 143.99 48.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.411 -0.806 . . . . 0.0 110.171 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -126.67 144.6 50.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.721 -0.612 . . . . 0.0 110.061 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -143.98 140.66 29.75 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.693 -0.63 . . . . 0.0 110.361 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.2 p -101.21 123.2 44.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.739 -0.601 . . . . 0.0 110.031 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.25 130.92 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 109.356 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 t -73.31 138.42 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.646 -0.659 . . . . 0.0 109.403 -179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 p -73.96 -24.85 59.68 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.613 -0.679 . . . . 0.0 111.357 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -61.15 -25.12 66.78 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.21 -0.931 . . . . 0.0 110.833 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.51 11.39 17.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.384 -0.823 . . . . 0.0 111.268 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.39 112.94 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -80.56 -39.77 27.08 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.169 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.12 145.83 24.31 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.907 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -126.97 144.26 51.06 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.709 -0.619 . . . . 0.0 110.983 -176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -149.08 159.06 44.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.77 -0.581 . . . . 0.0 110.022 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.9 mt -110.3 129.99 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.595 -0.691 . . . . 0.0 109.339 175.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.3 mt -75.03 161.02 79.18 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.659 -0.651 . . . . 0.0 110.164 -175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -60.63 139.56 86.45 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 O-C-N 123.599 1.315 . . . . 0.0 110.857 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -150.95 -60.02 0.18 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.799 -0.563 . . . . 0.0 110.057 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -112.79 159.3 19.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.722 -0.611 . . . . 0.0 110.095 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -94.47 126.9 40.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.658 . . . . 0.0 110.148 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.09 137.2 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.664 -0.648 . . . . 0.0 110.138 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -73.66 152.94 89.5 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 121.721 -0.612 . . . . 0.0 110.379 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -68.15 135.07 33.42 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 O-C-N 123.595 1.313 . . . . 0.0 110.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -99.6 -63.43 1.13 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.701 -0.624 . . . . 0.0 110.249 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -88.18 -33.16 18.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.657 -0.652 . . . . 0.0 110.342 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 65.6 1.45 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -65.42 -35.78 81.96 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.61 -0.935 . . . . 0.0 110.407 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -64.2 -41.57 97.02 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.711 -0.618 . . . . 0.0 110.494 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.7 m -149.25 154.19 38.6 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.645 -0.66 . . . . 0.0 110.273 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.75 -33.24 35.29 Favored 'Trans proline' 0 N--CA 1.489 1.238 0 O-C-N 123.568 1.299 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -123.52 148.94 45.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.621 -0.674 . . . . 0.0 110.24 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.8 t -135.57 92.12 2.8 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.644 -0.66 . . . . 0.0 110.358 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -101.77 33.02 3.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.587 -0.696 . . . . 0.0 110.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 t -91.01 160.08 15.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.647 -0.658 . . . . 0.0 110.093 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.6 m -68.8 131.52 45.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.659 -0.65 . . . . 0.0 110.094 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -65.76 -42.37 90.97 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.652 -0.655 . . . . 0.0 110.311 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mp -106.55 136.11 46.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.662 -0.648 . . . . 0.0 110.244 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -113.24 130.83 56.12 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.712 -0.618 . . . . 0.0 110.194 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.0 p -68.12 -32.1 72.15 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.704 -0.622 . . . . 0.0 110.303 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.68 75.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.683 -0.636 . . . . 0.0 110.398 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 51.9 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.58 -0.7 . . . . 0.0 111.065 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 m -66.84 -37.72 85.01 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.703 -0.623 . . . . 0.0 110.344 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.54 133.49 55.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 0.0 110.317 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -122.57 148.62 45.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.704 -0.623 . . . . 0.0 110.164 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 t -117.79 141.27 48.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.699 -0.625 . . . . 0.0 110.198 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.3 tttp 52.96 84.67 0.05 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.562 -0.711 . . . . 0.0 110.971 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.37 -65.24 1.03 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.085 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -118.66 147.56 43.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.657 -0.652 . . . . 0.0 110.154 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -100.01 32.23 3.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.727 -0.608 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.4 m -122.3 149.92 43.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.614 -0.679 . . . . 0.0 110.167 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 49.1 ttm -93.26 116.56 29.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.698 -0.626 . . . . 0.0 110.136 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.43 155.86 18.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.683 -0.636 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 t -107.61 127.55 53.75 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.711 -0.618 . . . . 0.0 110.166 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -88.29 118.95 28.25 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.696 -0.628 . . . . 0.0 110.111 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.84 143.78 33.51 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.717 -0.614 . . . . 0.0 110.225 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 59.05 155.86 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.797 -0.564 . . . . 0.0 111.067 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -91.29 -39.47 12.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 0.0 110.211 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.05 134.71 33.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.667 . . . . 0.0 110.236 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.19 161.31 23.43 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.753 -0.592 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.23 143.99 31.32 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.642 -0.661 . . . . 0.0 110.361 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.01 153.92 40.6 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.781 -0.575 . . . . 0.0 110.145 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -114.98 29.62 7.91 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.626 -0.671 . . . . 0.0 110.585 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.09 138.3 44.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.61 -0.681 . . . . 0.0 110.163 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -156.6 -61.03 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.652 -0.655 . . . . 0.0 110.183 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.9 mttp 52.7 33.91 14.93 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.577 -0.702 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -108.27 137.33 46.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.693 -0.63 . . . . 0.0 110.22 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.27 115.0 22.24 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.635 -0.666 . . . . 0.0 110.002 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -102.29 137.83 40.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.713 -0.617 . . . . 0.0 110.281 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -65.7 -32.34 73.84 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.658 -0.651 . . . . 0.0 110.354 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 52.98 33.82 15.57 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.544 -0.722 . . . . 0.0 110.951 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.59 -26.9 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.66 -0.65 . . . . 0.0 110.66 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -126.11 153.2 44.87 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.438 -0.788 . . . . 0.0 110.212 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -110.18 98.19 7.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.686 -0.634 . . . . 0.0 110.17 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.04 143.46 46.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.625 -0.672 . . . . 0.0 110.256 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -124.76 158.48 33.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.756 -0.59 . . . . 0.0 110.174 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -114.09 127.79 56.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.634 -0.666 . . . . 0.0 110.203 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.756 -0.59 . . . . 0.0 110.194 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -121.63 135.98 54.96 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.714 -0.616 . . . . 0.0 110.249 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.131 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.41 -33.78 75.88 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.699 -0.883 . . . . 0.0 110.284 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.19 -35.75 82.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.622 -0.674 . . . . 0.0 110.378 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.82 -66.49 2.43 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.27 154.56 27.75 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.685 -0.891 . . . . 0.0 110.179 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 m -122.25 151.9 40.59 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.711 -0.618 . . . . 0.0 110.251 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.55 -31.48 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.653 -0.655 . . . . 0.0 110.025 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.57 69.9 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.658 -0.651 . . . . 0.0 110.705 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.71 -38.7 92.11 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.581 -0.699 . . . . 0.0 110.467 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.52 -34.01 71.82 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.653 -0.655 . . . . 0.0 110.092 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.55 134.75 51.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.728 -0.608 . . . . 0.0 109.914 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.0 5.08 89.72 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -87.31 144.15 26.92 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.196 -1.179 . . . . 0.0 110.089 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -91.62 114.79 27.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.93 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -131.2 161.31 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.65 146.12 44.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.59 -0.694 . . . . 0.0 109.56 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -132.91 143.45 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 109.74 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.83 136.14 37.8 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.294 168.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.36 178.42 8.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.989 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -57.35 -22.43 42.34 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.776 -0.577 . . . . 0.0 111.563 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -100.27 24.66 8.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.522 -0.736 . . . . 0.0 111.196 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.86 25.8 12.48 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.29 -0.882 . . . . 0.0 110.683 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -96.19 133.06 40.96 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.405 ' HA ' HD21 ' A' ' 14' ' ' LEU . 22.3 mtmm -109.68 135.88 49.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.545 -0.722 . . . . 0.0 110.477 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.07 151.95 42.86 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.854 -0.529 . . . . 0.0 109.944 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -136.08 158.38 44.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.468 -0.77 . . . . 0.0 110.165 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.61 -177.43 48.44 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 176.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.96 127.84 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.705 -0.88 . . . . 0.0 109.487 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -66.22 137.31 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.684 -0.635 . . . . 0.0 110.256 -175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.9 p -125.07 -35.97 2.59 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.776 -0.578 . . . . 0.0 111.433 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -139.75 151.32 45.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -149.14 135.44 19.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.932 -0.48 . . . . 0.0 109.734 174.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -122.03 118.84 29.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.789 -0.57 . . . . 0.0 110.034 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -67.68 -30.18 69.65 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.796 -0.565 . . . . 0.0 110.719 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.9 m -61.13 -49.87 75.5 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.541 -0.724 . . . . 0.0 110.83 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 61.1 t30 -124.06 15.82 9.21 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.553 -0.717 . . . . 0.0 111.258 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 p 46.65 67.0 0.84 Allowed 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.653 -0.655 . . . . 0.0 111.663 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.3 mm -115.01 130.27 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 109.597 -179.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.7 tp -121.74 125.64 47.05 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.804 -0.56 . . . . 0.0 110.337 -174.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -96.98 127.37 42.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.799 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -110.94 119.97 40.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.785 -0.572 . . . . 0.0 109.935 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.1 ttt-85 -101.3 120.67 40.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.682 -0.636 . . . . 0.0 109.94 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.1 tp -102.07 154.58 18.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.73 -0.606 . . . . 0.0 110.568 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.65 -0.31 6.67 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.867 -0.521 . . . . 0.0 112.148 -171.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -88.05 26.64 1.33 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.975 -1.078 . . . . 0.0 110.741 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.52 27.79 17.22 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.091 -1.006 . . . . 0.0 110.465 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -121.94 140.1 52.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.474 -0.766 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.2 144.66 51.29 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.777 -0.577 . . . . 0.0 110.034 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -143.84 136.44 27.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 0.0 110.399 -177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.8 p -96.74 120.55 37.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.892 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -127.88 129.93 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.461 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 30.2 t -72.3 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.649 -0.657 . . . . 0.0 109.243 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.6 p -65.35 -24.64 67.3 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.552 -0.718 . . . . 0.0 111.294 -172.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -58.58 -26.11 63.27 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.235 -0.916 . . . . 0.0 110.89 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -88.5 12.32 14.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.769 . . . . 0.0 111.307 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.86 112.89 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.149 -0.969 . . . . 0.0 109.68 172.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -84.99 -35.56 21.89 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.525 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -152.48 146.72 25.5 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.933 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt -128.42 144.25 51.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.863 -177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -147.42 159.05 44.15 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.76 -0.588 . . . . 0.0 109.888 171.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.1 mt -113.18 129.99 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.601 -0.687 . . . . 0.0 109.32 176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.57 139.95 35.82 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 110.025 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.09 -34.75 16.09 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 O-C-N 123.488 1.257 . . . . 0.0 110.323 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 52.86 31.43 10.68 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.603 -0.686 . . . . 0.0 110.858 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -122.78 118.22 27.5 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.578 -0.701 . . . . 0.0 110.293 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -161.36 33.34 0.14 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.65 -0.657 . . . . 0.0 110.327 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.4 -37.15 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.675 -0.64 . . . . 0.0 109.807 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 mtt -114.41 155.97 45.12 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.648 -0.658 . . . . 0.0 110.361 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.14 164.74 32.78 Favored 'Trans proline' 0 N--CA 1.487 1.111 0 O-C-N 123.697 1.367 . . . . 0.0 110.344 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 53.22 94.33 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.594 -0.691 . . . . 0.0 111.047 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.14 124.78 42.85 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.683 -0.636 . . . . 0.0 110.171 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.37 -47.64 0.09 OUTLIER Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -112.48 140.97 46.77 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.748 -0.854 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.06 -37.7 88.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.707 -0.621 . . . . 0.0 110.453 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -158.32 91.15 2.15 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.728 -0.608 . . . . 0.0 110.224 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.4 95.12 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.267 0 O-C-N 123.499 1.263 . . . . 0.0 110.508 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -126.72 152.02 47.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.704 -0.622 . . . . 0.0 110.281 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.0 p -104.03 161.28 14.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.658 -0.651 . . . . 0.0 110.11 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -100.29 30.05 4.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.693 -0.629 . . . . 0.0 110.511 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -133.45 33.37 3.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.298 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -122.42 139.66 53.6 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.659 -0.651 . . . . 0.0 110.137 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -93.39 135.71 34.36 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.71 -0.619 . . . . 0.0 110.111 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -93.87 101.19 13.27 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.723 -0.611 . . . . 0.0 110.109 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.36 -33.9 77.05 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.727 -0.608 . . . . 0.0 110.322 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.4 m -63.91 -34.5 78.09 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.665 -0.647 . . . . 0.0 110.458 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.14 76.41 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.75 -0.594 . . . . 0.0 110.322 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.83 -33.57 75.89 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 110.353 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 m -90.61 134.23 34.54 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 0.0 110.222 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -70.16 -32.19 70.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.718 -0.614 . . . . 0.0 110.525 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.6 m -66.1 154.47 39.53 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.589 -0.694 . . . . 0.0 110.418 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -132.46 146.28 51.82 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.256 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -90.14 -70.11 0.69 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.632 -0.668 . . . . 0.0 110.281 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -134.12 28.92 3.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.632 -0.668 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -103.36 -40.37 6.41 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.548 -0.72 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -114.66 157.91 22.48 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.268 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.0 m -98.03 152.13 19.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 110.189 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.58 -35.04 79.69 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.684 -0.635 . . . . 0.0 110.441 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -87.74 132.97 33.95 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.715 -0.615 . . . . 0.0 110.168 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.7 t -159.66 -60.32 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.616 -0.678 . . . . 0.0 110.194 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -142.05 -54.22 0.44 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.714 -0.617 . . . . 0.0 110.206 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -107.93 146.41 32.44 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.642 -0.661 . . . . 0.0 110.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -94.82 141.52 28.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.644 -0.66 . . . . 0.0 110.097 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -99.87 152.77 19.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.686 -0.634 . . . . 0.0 110.07 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.04 -35.65 77.48 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.602 -0.686 . . . . 0.0 110.673 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.7 128.48 46.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.644 -0.66 . . . . 0.0 110.13 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.69 -34.47 6.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.649 -0.657 . . . . 0.0 110.228 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 52.2 29.04 6.09 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.609 -0.682 . . . . 0.0 111.103 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -115.31 153.62 30.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.691 -0.631 . . . . 0.0 110.066 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.26 -39.48 92.69 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.689 -0.632 . . . . 0.0 110.241 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 51.99 -173.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.539 -0.726 . . . . 0.0 111.101 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -123.61 129.76 51.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.657 -0.652 . . . . 0.0 110.19 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.63 154.89 38.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.708 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -96.31 157.84 15.71 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.666 -0.646 . . . . 0.0 110.152 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mttp -84.34 146.83 27.51 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.735 -0.603 . . . . 0.0 110.14 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -86.62 -31.49 21.1 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.713 -0.617 . . . . 0.0 110.44 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.5 -32.5 73.43 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.627 -0.671 . . . . 0.0 110.886 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 34.3 m -65.59 -32.3 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.638 -0.664 . . . . 0.0 110.673 -177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -68.4 -41.89 79.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.589 -0.695 . . . . 0.0 110.387 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -103.36 129.63 50.47 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.588 -0.695 . . . . 0.0 110.322 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.15 -32.4 73.48 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.681 -0.637 . . . . 0.0 110.428 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -101.92 135.58 43.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.639 -0.663 . . . . 0.0 110.261 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -98.05 132.35 43.67 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.646 -0.659 . . . . 0.0 110.23 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -114.0 135.78 53.62 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.662 -0.649 . . . . 0.0 110.08 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.18 -39.17 92.52 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.606 -0.684 . . . . 0.0 110.332 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.507 2.378 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.943 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 52.81 -175.85 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.578 -0.954 . . . . 0.0 111.123 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.1 mtt -106.65 32.14 4.75 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.02 91.86 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm -108.9 142.18 39.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.747 -0.854 . . . . 0.0 110.137 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -118.17 145.55 44.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.655 -0.653 . . . . 0.0 110.363 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.3 t -67.98 -29.08 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.783 -0.573 . . . . 0.0 110.127 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.72 69.71 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.502 -0.749 . . . . 0.0 110.739 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.19 -39.85 94.86 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.631 -0.668 . . . . 0.0 110.32 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -83.44 -31.36 26.64 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.708 -0.62 . . . . 0.0 110.334 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -66.33 134.29 52.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.652 -0.655 . . . . 0.0 110.132 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.7 3.98 90.47 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -87.12 144.72 26.74 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.211 -1.17 . . . . 0.0 110.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.02 114.92 27.19 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.4 m -131.09 162.62 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.864 -0.523 . . . . 0.0 109.673 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.5 141.6 48.4 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.679 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.63 133.67 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.707 -0.621 . . . . 0.0 109.518 176.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -89.74 136.01 33.29 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.673 174.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.16 176.14 8.98 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.04 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -58.05 -22.2 49.01 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.731 -0.606 . . . . 0.0 111.52 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.99 25.58 7.24 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -0.772 . . . . 0.0 111.277 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.88 25.84 14.14 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.197 -0.939 . . . . 0.0 110.9 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -100.11 132.91 45.19 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 168.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.411 ' HA ' HD21 ' A' ' 14' ' ' LEU . 75.7 mttt -109.96 139.78 44.68 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.364 -171.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.95 144.7 33.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.748 -0.595 . . . . 0.0 110.042 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -131.62 150.29 52.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.583 -0.698 . . . . 0.0 110.273 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.87 -171.93 44.12 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.17 130.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.675 -0.897 . . . . 0.0 109.705 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.4 mt -73.01 140.37 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.538 -0.727 . . . . 0.0 110.014 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 p -125.18 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.652 -0.655 . . . . 0.0 111.549 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.28 147.42 45.66 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.137 -0.977 . . . . 0.0 111.074 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -149.1 127.68 12.38 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.13 127.01 49.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.65 -0.656 . . . . 0.0 109.879 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -75.16 -32.24 61.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.791 -0.568 . . . . 0.0 110.748 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -37.39 87.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.527 -0.733 . . . . 0.0 110.755 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -124.09 -0.0 8.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.645 -0.659 . . . . 0.0 111.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m 50.92 66.88 1.04 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.165 -0.959 . . . . 0.0 110.877 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mm -120.37 137.47 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.623 -0.673 . . . . 0.0 109.775 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 tp -124.35 125.77 44.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.68 -0.637 . . . . 0.0 110.273 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -101.57 128.85 47.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.788 -0.57 . . . . 0.0 109.892 174.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.98 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.914 -0.491 . . . . 0.0 110.06 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -96.35 125.42 40.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.604 -0.685 . . . . 0.0 109.92 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.7 tp -102.11 148.35 25.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.724 -0.61 . . . . 0.0 110.792 -174.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -9.81 16.45 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.807 -0.558 . . . . 0.0 111.881 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.21 30.68 0.67 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.152 -0.967 . . . . 0.0 111.014 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 60.47 27.44 17.07 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.961 -1.087 . . . . 0.0 110.511 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -120.08 142.3 49.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.431 -0.793 . . . . 0.0 110.15 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.92 144.47 51.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.668 -0.645 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -144.03 132.54 22.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.709 -0.62 . . . . 0.0 110.247 -178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.6 p -102.1 120.98 41.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.675 -0.64 . . . . 0.0 109.93 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -129.18 136.9 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 109.333 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.0 t -77.91 136.09 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -63.61 -24.49 67.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.596 -0.69 . . . . 0.0 111.357 -172.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -58.19 -25.0 61.04 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.806 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.72 10.01 19.69 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.486 -0.759 . . . . 0.0 111.401 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.7 mt -75.45 112.99 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.181 -0.949 . . . . 0.0 109.776 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -80.94 -40.29 24.76 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.114 171.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -152.62 143.43 22.89 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.869 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 mt -122.06 144.19 49.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.771 -0.58 . . . . 0.0 110.679 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -146.77 154.65 41.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.0 mt -115.08 130.06 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.61 -0.681 . . . . 0.0 109.599 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.2 mt -79.66 148.07 68.56 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.884 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -70.61 -54.62 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.034 0 O-C-N 123.501 1.263 . . . . 0.0 110.205 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.45 154.58 51.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.711 -0.618 . . . . 0.0 110.149 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.31 117.82 31.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.678 -0.638 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -100.53 133.77 44.49 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.591 -0.693 . . . . 0.0 110.201 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.4 mt -120.73 138.02 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.716 -0.615 . . . . 0.0 109.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.1 159.73 56.33 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.715 -0.615 . . . . 0.0 110.047 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -67.14 110.15 1.91 Allowed 'Trans proline' 0 N--CA 1.488 1.201 0 O-C-N 123.735 1.387 . . . . 0.0 110.39 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.57 150.54 50.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.709 -0.62 . . . . 0.0 110.195 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -87.32 158.21 19.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.768 -0.583 . . . . 0.0 110.198 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.7 14.47 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 m -62.96 -33.65 75.82 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.488 -1.007 . . . . 0.0 110.491 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -82.94 129.86 35.07 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.686 -0.634 . . . . 0.0 110.088 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.404 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -86.69 -50.03 0.47 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.727 -0.608 . . . . 0.0 110.935 -179.287 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 71' ' ' SER . 23.5 Cg_exo -60.18 -29.77 89.79 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 O-C-N 123.082 1.043 . . . . 0.0 111.022 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.2 m -64.16 -33.76 76.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.643 -0.661 . . . . 0.0 110.625 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 p -121.2 168.44 11.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.572 -0.705 . . . . 0.0 110.255 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.41 112.14 24.74 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.705 -0.622 . . . . 0.0 110.151 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.7 p -144.28 157.6 44.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.736 -0.602 . . . . 0.0 110.195 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -119.49 29.4 7.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.679 -0.638 . . . . 0.0 110.525 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.0 115.79 31.3 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.533 -0.729 . . . . 0.0 110.184 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mp -76.21 -32.17 58.81 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.745 -0.597 . . . . 0.0 110.475 -178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -61.3 -37.34 82.86 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.593 -0.692 . . . . 0.0 110.681 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.4 p -68.17 -32.47 72.75 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.655 -0.653 . . . . 0.0 110.276 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.07 73.79 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.731 -0.606 . . . . 0.0 110.433 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 56.8 -81.79 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.933 -0.48 . . . . 0.0 111.302 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -82.4 132.97 35.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.204 -0.935 . . . . 0.0 110.04 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -66.14 -40.17 90.42 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.682 -0.636 . . . . 0.0 110.214 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 p -146.18 -68.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.076 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.3 p -160.98 157.53 26.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.619 -0.676 . . . . 0.0 110.231 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 53.02 93.06 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.624 -0.673 . . . . 0.0 111.095 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.74 -34.9 79.42 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.665 -0.647 . . . . 0.0 110.399 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -104.21 147.47 27.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.637 -0.664 . . . . 0.0 110.208 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -66.53 -41.99 87.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.693 -0.629 . . . . 0.0 110.259 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.5 t -161.39 -65.21 0.06 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.687 -0.633 . . . . 0.0 110.227 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.5 ttm -154.57 131.29 10.72 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.619 -0.676 . . . . 0.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -95.63 132.95 40.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.715 -0.616 . . . . 0.0 110.206 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 6.0 t -159.71 -46.6 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.648 -0.657 . . . . 0.0 110.215 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -65.76 -38.33 88.8 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.706 -0.621 . . . . 0.0 110.397 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -118.23 143.93 46.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 110.165 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -69.1 -42.51 76.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.737 -0.602 . . . . 0.0 110.288 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -114.59 130.89 56.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.593 -0.692 . . . . 0.0 110.292 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.95 -36.29 77.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.636 -0.665 . . . . 0.0 110.239 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -67.35 -40.88 85.89 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.78 -0.575 . . . . 0.0 110.416 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.97 141.54 35.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.677 -0.64 . . . . 0.0 110.3 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -152.4 123.87 7.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.673 -0.642 . . . . 0.0 110.166 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -65.24 -37.48 87.38 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.682 -0.636 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.5 tp -107.65 131.54 54.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.765 -0.585 . . . . 0.0 110.075 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -95.99 135.96 37.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 110.157 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -104.22 30.02 5.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.692 -0.63 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 51.95 90.08 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.55 -0.719 . . . . 0.0 111.016 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -133.52 30.99 3.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.658 -0.651 . . . . 0.0 110.431 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -137.24 106.0 5.89 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.684 -0.635 . . . . 0.0 110.15 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.2 127.44 21.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.652 -0.655 . . . . 0.0 110.111 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -106.38 114.99 29.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.718 -0.614 . . . . 0.0 110.084 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.82 139.86 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.754 -0.591 . . . . 0.0 109.777 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -114.76 152.55 31.88 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.697 -0.627 . . . . 0.0 110.112 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -94.22 129.34 40.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.652 . . . . 0.0 110.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -113.18 132.18 55.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.633 -0.667 . . . . 0.0 110.164 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.94 31.8 5.04 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.721 -0.612 . . . . 0.0 110.392 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -63.87 -37.56 87.85 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.594 -0.691 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -107.93 152.55 24.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.698 -0.626 . . . . 0.0 110.206 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -96.32 145.42 25.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.749 -0.594 . . . . 0.0 110.175 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.204 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.89 69.92 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.679 -0.895 . . . . 0.0 110.534 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.8 mtp -61.94 -35.63 78.99 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.725 . . . . 0.0 110.498 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -90.79 142.65 16.3 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt -123.01 145.24 48.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.679 -0.895 . . . . 0.0 110.191 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -126.82 151.9 47.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.685 -0.634 . . . . 0.0 110.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.42 -31.44 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.723 -0.611 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.04 -30.35 70.91 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.568 -0.708 . . . . 0.0 110.647 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.5 -40.24 95.29 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.623 -0.673 . . . . 0.0 110.442 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -77.02 -30.66 55.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.683 -0.636 . . . . 0.0 110.345 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.63 130.39 43.02 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.575 -0.703 . . . . 0.0 110.092 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.22 -1.97 88.4 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.08 142.23 28.08 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.202 -1.175 . . . . 0.0 110.078 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.52 114.93 27.41 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.617 -0.677 . . . . 0.0 109.961 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.5 m -129.16 161.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.847 -0.533 . . . . 0.0 109.627 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -118.67 146.08 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 109.471 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -134.63 142.78 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.645 -0.659 . . . . 0.0 109.935 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -92.91 136.06 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.395 168.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.8 mt -87.26 173.71 9.03 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.938 174.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -14.93 11.68 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.846 -0.534 . . . . 0.0 111.907 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -95.92 22.76 7.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.275 -0.89 . . . . 0.0 111.023 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.87 25.98 12.72 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.323 -0.861 . . . . 0.0 110.748 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -103.34 145.88 29.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.538 -0.726 . . . . 0.0 109.304 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -109.95 142.22 41.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.489 -0.757 . . . . 0.0 110.823 -174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.59 39.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.769 -0.582 . . . . 0.0 109.838 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.8 ptt85 -136.95 144.61 43.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.536 -0.728 . . . . 0.0 110.709 -176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -174.39 46.53 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -89.66 142.55 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.643 -0.916 . . . . 0.0 109.695 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.8 mt -83.1 139.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.654 -0.654 . . . . 0.0 109.967 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.8 p -125.07 -36.07 2.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.641 -0.662 . . . . 0.0 111.516 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -136.49 145.94 45.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.136 -0.977 . . . . 0.0 111.041 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -149.08 128.52 13.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.791 -0.568 . . . . 0.0 109.612 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -122.1 120.03 33.07 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.65 -0.656 . . . . 0.0 109.868 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -67.93 -30.87 70.29 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.836 -0.54 . . . . 0.0 110.815 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -61.08 -53.41 57.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.469 -0.769 . . . . 0.0 110.851 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -114.24 6.23 16.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.684 -0.635 . . . . 0.0 111.396 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m 51.55 67.06 1.02 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.233 -0.917 . . . . 0.0 110.905 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mm -114.8 134.93 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.533 -0.729 . . . . 0.0 109.696 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -126.38 124.82 41.07 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.718 -0.614 . . . . 0.0 110.369 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -102.17 129.57 48.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.782 -0.574 . . . . 0.0 109.779 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.95 121.71 46.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.844 -0.535 . . . . 0.0 110.009 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -97.51 123.85 41.53 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.724 -0.61 . . . . 0.0 109.783 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -102.14 149.93 23.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.665 -0.647 . . . . 0.0 110.781 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -9.51 13.97 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.934 -0.479 . . . . 0.0 111.798 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.59 31.0 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.036 -1.04 . . . . 0.0 110.997 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.95 29.27 17.39 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.021 -1.05 . . . . 0.0 110.379 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -121.73 141.7 50.92 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.539 -0.726 . . . . 0.0 110.097 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -128.27 144.06 51.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.682 -0.636 . . . . 0.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.54 142.04 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.655 -0.653 . . . . 0.0 110.614 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -108.83 119.19 38.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.811 -0.556 . . . . 0.0 109.952 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -130.08 131.54 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 109.484 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.5 t -72.14 137.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -62.32 -24.42 67.31 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.593 -0.692 . . . . 0.0 111.404 -172.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -57.13 -25.0 58.12 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.311 -0.868 . . . . 0.0 110.845 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.58 9.81 19.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.508 -0.745 . . . . 0.0 111.377 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 89.7 mt -78.77 113.0 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.94 -40.08 28.87 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.987 171.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 60.0 m-20 -153.77 148.72 26.66 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.603 -0.685 . . . . 0.0 110.933 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -127.08 144.17 51.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.705 -0.622 . . . . 0.0 111.023 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -146.96 159.04 44.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.666 -0.646 . . . . 0.0 109.946 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.9 mt -113.95 130.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.568 -0.708 . . . . 0.0 109.212 175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.03 148.24 53.14 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.602 -0.686 . . . . 0.0 110.065 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -71.0 172.21 14.29 Favored 'Trans proline' 0 N--CA 1.487 1.135 0 O-C-N 123.634 1.334 . . . . 0.0 110.342 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -69.33 137.6 53.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.69 -0.631 . . . . 0.0 109.993 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -95.49 128.79 42.63 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.711 -0.618 . . . . 0.0 110.298 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -99.99 30.57 3.67 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.781 -0.574 . . . . 0.0 110.358 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.4 mm 53.6 89.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.372 -0.83 . . . . 0.0 110.538 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.6 tpp -96.06 138.43 21.64 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.606 -0.684 . . . . 0.0 109.918 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -64.36 -31.96 61.7 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 O-C-N 123.394 1.208 . . . . 0.0 110.651 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -106.06 122.68 46.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.531 -0.731 . . . . 0.0 110.243 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -66.64 -37.33 84.61 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.51 177.8 41.48 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.3 m -152.63 33.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.768 -0.842 . . . . 0.0 110.26 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.668 -0.645 . . . . 0.0 110.39 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.4 p -161.31 89.4 1.57 Allowed Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.588 -0.695 . . . . 0.0 110.234 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -68.08 134.7 32.5 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 O-C-N 123.544 1.286 . . . . 0.0 110.331 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -161.39 -63.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.673 -0.642 . . . . 0.0 110.256 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -67.35 -35.42 79.35 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.599 -0.688 . . . . 0.0 110.217 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -98.91 129.72 45.26 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.678 -0.639 . . . . 0.0 110.208 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -147.88 167.3 25.16 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.753 -0.592 . . . . 0.0 110.176 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 p -85.53 104.01 14.91 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.739 -0.6 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -138.08 142.12 40.25 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.717 -0.615 . . . . 0.0 110.116 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.13 136.38 33.08 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.741 -0.6 . . . . 0.0 110.082 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -102.73 129.87 49.49 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.672 -0.642 . . . . 0.0 110.275 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.8 p -68.43 -30.13 68.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.686 -0.634 . . . . 0.0 110.419 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.91 73.17 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.573 -0.705 . . . . 0.0 110.467 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.84 132.43 37.0 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.697 -0.627 . . . . 0.0 110.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.9 p -129.52 161.79 29.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.711 -0.618 . . . . 0.0 110.215 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -160.43 33.01 0.16 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.736 -0.602 . . . . 0.0 110.31 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -157.07 33.96 0.29 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.688 -0.632 . . . . 0.0 110.274 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -125.85 156.31 39.79 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.625 -0.672 . . . . 0.0 110.218 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -123.13 131.93 53.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.732 -0.605 . . . . 0.0 110.155 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -106.59 114.08 27.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.722 -0.611 . . . . 0.0 110.229 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -101.98 30.09 4.64 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.73 -0.606 . . . . 0.0 110.419 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -100.77 118.91 37.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.586 -0.696 . . . . 0.0 110.212 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -129.7 150.08 51.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.689 -0.632 . . . . 0.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.8 mmt -125.46 155.67 40.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.613 -0.679 . . . . 0.0 110.263 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -91.07 132.96 35.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -106.28 157.68 17.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.699 -0.625 . . . . 0.0 110.164 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.1 -38.3 90.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.665 -0.647 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -117.06 137.21 52.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.682 -0.636 . . . . 0.0 110.205 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.18 -41.26 77.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.645 -0.659 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -114.79 130.66 56.89 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.237 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -91.61 118.17 30.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.721 -0.612 . . . . 0.0 110.161 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -160.5 34.01 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 0.0 110.193 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.22 148.58 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.714 -0.617 . . . . 0.0 110.177 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.22 144.78 27.96 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.719 -0.613 . . . . 0.0 110.151 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -64.82 -35.58 81.58 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.685 -0.634 . . . . 0.0 110.425 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.7 138.79 36.28 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.724 -0.61 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -111.06 144.2 40.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.655 -0.653 . . . . 0.0 110.149 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -141.18 -169.57 2.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.693 -0.629 . . . . 0.0 110.405 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -104.88 141.98 35.57 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.722 -0.611 . . . . 0.0 110.225 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -82.19 125.58 31.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.7 -0.625 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -131.83 148.62 52.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.731 -0.606 . . . . 0.0 110.394 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -102.35 37.79 1.82 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.712 -0.617 . . . . 0.0 110.025 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 52.22 -172.78 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.502 -0.749 . . . . 0.0 111.004 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.37 30.38 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.69 -0.631 . . . . 0.0 110.476 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -101.74 130.49 48.15 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 110.207 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.5 138.19 43.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.725 -0.609 . . . . 0.0 110.187 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -106.73 135.41 48.32 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.671 -0.643 . . . . 0.0 110.054 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -108.52 98.97 8.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.653 -0.654 . . . . 0.0 110.198 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -142.68 132.77 24.49 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.662 -0.649 . . . . 0.0 110.11 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -69.26 -36.13 76.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.716 -0.615 . . . . 0.0 110.049 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.19 -34.42 78.0 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.709 -0.619 . . . . 0.0 110.308 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.234 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -144.51 156.05 43.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.645 -0.915 . . . . 0.0 110.18 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -118.43 153.37 34.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.705 -0.622 . . . . 0.0 110.195 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 164.48 -126.32 1.49 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpp -95.6 127.58 41.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.709 -0.877 . . . . 0.0 110.153 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -122.7 152.3 40.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.651 -0.656 . . . . 0.0 110.365 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.53 -31.17 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.801 -0.562 . . . . 0.0 110.031 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.49 69.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.611 -0.681 . . . . 0.0 110.653 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.94 -39.43 94.14 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.514 -0.741 . . . . 0.0 110.254 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.65 -32.27 69.5 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.696 -0.628 . . . . 0.0 110.07 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.84 132.22 48.17 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.663 -0.648 . . . . 0.0 110.026 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.4 2.35 90.59 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.27 146.41 25.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.157 -1.202 . . . . 0.0 110.044 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -91.87 114.85 27.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.585 -0.697 . . . . 0.0 109.916 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 31.3 m -130.51 158.75 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -118.65 144.21 46.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.556 -0.715 . . . . 0.0 109.188 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -132.87 141.02 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.618 -0.676 . . . . 0.0 109.714 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.36 136.06 36.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.036 -1.065 . . . . 0.0 109.479 170.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.62 176.06 8.84 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.94 -21.22 42.92 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -102.28 31.28 4.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.0 110.686 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 52.84 27.03 5.01 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.751 -0.593 . . . . 0.0 111.201 167.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -102.65 132.9 48.45 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.0 mttt -109.8 137.23 47.89 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.394 -168.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 152.84 43.71 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.81 -0.556 . . . . 0.0 110.092 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.42 160.18 39.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.561 -0.712 . . . . 0.0 110.067 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.64 -173.53 45.85 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -94.57 129.43 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.597 -0.943 . . . . 0.0 109.39 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.9 mt -67.21 137.6 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.653 -0.654 . . . . 0.0 110.058 -177.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.1 p -125.1 -36.13 2.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.764 -0.585 . . . . 0.0 111.463 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -138.26 147.8 44.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -149.11 130.86 15.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.813 -0.555 . . . . 0.0 109.671 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.02 122.16 38.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.697 -0.627 . . . . 0.0 110.029 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.86 -26.06 63.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 110.82 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -49.06 78.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.412 -0.805 . . . . 0.0 110.777 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 9.99 8.78 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.599 -0.688 . . . . 0.0 111.267 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 51.14 67.03 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.249 -0.907 . . . . 0.0 110.992 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.73 131.83 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.555 -0.716 . . . . 0.0 109.713 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 tp -122.96 124.6 43.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.722 -0.611 . . . . 0.0 110.307 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.19 128.79 45.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.805 -0.559 . . . . 0.0 109.773 173.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.94 120.57 42.82 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.79 -0.569 . . . . 0.0 109.934 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -103.17 121.42 42.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.705 -0.622 . . . . 0.0 109.946 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 60.4 tp -102.05 153.82 19.55 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.68 -174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.36 -6.52 10.31 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.955 -0.465 . . . . 0.0 112.054 -171.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -86.4 30.66 0.69 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.018 -1.051 . . . . 0.0 110.87 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.92 29.04 17.0 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.154 -0.966 . . . . 0.0 110.444 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -122.49 138.02 54.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.502 -0.749 . . . . 0.0 110.012 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -130.1 144.63 51.45 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.683 -0.636 . . . . 0.0 110.154 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -140.76 142.07 34.78 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.631 -0.668 . . . . 0.0 110.603 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -103.43 119.46 38.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.796 -0.565 . . . . 0.0 109.916 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.91 129.74 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.449 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.7 136.66 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.3 p -62.07 -24.58 67.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.629 -0.669 . . . . 0.0 111.323 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.12 -25.69 64.07 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.323 -0.861 . . . . 0.0 110.833 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.17 10.85 17.99 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 111.26 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.3 mt -76.71 112.9 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.149 -0.97 . . . . 0.0 109.818 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -81.46 -39.14 25.29 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.044 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -153.6 146.06 24.05 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.598 -0.689 . . . . 0.0 110.853 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.05 144.26 50.79 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.761 -0.587 . . . . 0.0 110.871 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -148.37 159.01 44.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.66 -0.65 . . . . 0.0 110.141 172.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 80.4 mt -114.79 129.94 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.598 -0.689 . . . . 0.0 109.261 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.42 146.6 98.77 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 121.576 -0.703 . . . . 0.0 110.185 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -69.04 136.48 35.01 Favored 'Trans proline' 0 N--CA 1.488 1.185 0 O-C-N 123.621 1.327 . . . . 0.0 110.439 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -66.32 -34.33 77.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.758 -0.588 . . . . 0.0 110.239 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -92.26 164.81 13.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.736 -0.602 . . . . 0.0 110.293 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -65.62 -32.94 74.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.647 -0.658 . . . . 0.0 110.48 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 pt -120.51 159.96 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.655 -0.653 . . . . 0.0 110.307 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.6 mtm -95.8 153.91 39.2 Favored Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 121.699 -0.626 . . . . 0.0 110.177 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.27 146.48 69.56 Favored 'Trans proline' 0 N--CA 1.487 1.109 0 O-C-N 123.595 1.313 . . . . 0.0 110.384 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -132.92 122.44 24.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.632 -0.667 . . . . 0.0 109.999 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -144.19 167.47 22.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.729 -0.607 . . . . 0.0 110.313 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.52 69.51 0.27 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 t -115.57 33.22 5.59 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.685 -0.891 . . . . 0.0 110.368 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.64 -33.51 75.78 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.699 -0.625 . . . . 0.0 110.441 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -112.51 166.7 10.46 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.611 -0.681 . . . . 0.0 110.206 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.22 146.19 85.87 Favored 'Trans proline' 0 N--CA 1.488 1.174 0 O-C-N 123.647 1.341 . . . . 0.0 110.483 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.6 p -145.25 173.09 12.26 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.727 -0.608 . . . . 0.0 110.302 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 t -123.46 165.19 17.49 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.788 -0.57 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.41 45.82 27.56 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.574 -0.704 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.2 p -64.34 -30.68 71.72 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.533 -0.729 . . . . 0.0 110.585 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 p -100.99 147.75 25.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.597 -0.689 . . . . 0.0 110.175 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -136.0 151.29 49.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.734 -0.604 . . . . 0.0 110.208 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -96.86 126.52 42.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.687 -0.633 . . . . 0.0 110.006 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -99.66 29.11 4.26 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.703 -0.623 . . . . 0.0 110.661 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -67.71 -36.38 80.52 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.1 75.58 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.725 -0.609 . . . . 0.0 110.337 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.07 142.07 36.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.643 -0.661 . . . . 0.0 110.499 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 t -140.82 33.41 1.79 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.662 -0.649 . . . . 0.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -116.41 158.02 24.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.656 -0.652 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -110.95 145.2 38.78 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.73 -0.606 . . . . 0.0 110.256 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.5 m -66.39 -33.79 76.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.76 -0.588 . . . . 0.0 110.486 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -93.5 136.88 33.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 110.333 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -112.38 136.81 51.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.691 -0.631 . . . . 0.0 110.075 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -98.94 24.76 7.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.649 -0.657 . . . . 0.0 110.859 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -68.58 -42.22 78.57 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.445 -0.784 . . . . 0.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.2 t -158.17 133.05 8.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.619 -0.676 . . . . 0.0 110.211 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.7 mtp -97.82 -67.02 0.87 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.687 -0.633 . . . . 0.0 110.242 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -109.02 155.61 20.7 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.253 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.4 m -118.71 128.77 54.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.753 -0.592 . . . . 0.0 110.086 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -108.51 166.39 10.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.728 -0.608 . . . . 0.0 110.426 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -110.06 159.66 17.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.679 -0.638 . . . . 0.0 110.097 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -95.35 145.55 25.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.677 -0.64 . . . . 0.0 110.243 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 152.84 35.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.732 -0.605 . . . . 0.0 110.18 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.3 114.96 25.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.626 -0.671 . . . . 0.0 110.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -141.64 -61.8 0.46 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.645 -0.659 . . . . 0.0 110.263 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.62 31.18 6.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.734 -0.604 . . . . 0.0 110.447 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.75 22.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.668 . . . . 0.0 110.192 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -144.73 108.46 4.68 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.661 -0.649 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.8 tt -64.94 -39.1 92.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.681 -0.637 . . . . 0.0 110.217 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 52.57 92.27 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.667 -0.646 . . . . 0.0 110.942 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -98.41 133.94 42.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.633 -0.667 . . . . 0.0 110.157 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.28 122.88 44.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.653 -0.654 . . . . 0.0 110.122 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.39 114.78 27.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.72 -0.612 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -121.3 118.53 29.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.721 -0.612 . . . . 0.0 110.143 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -92.41 -40.77 10.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.716 -0.615 . . . . 0.0 110.207 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -125.24 147.19 49.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.675 -0.641 . . . . 0.0 110.103 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.61 143.57 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.712 -0.617 . . . . 0.0 110.258 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -151.15 160.1 44.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.715 -0.615 . . . . 0.0 110.305 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.57 132.71 50.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.663 -0.648 . . . . 0.0 110.087 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -68.73 -39.14 80.53 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.678 -0.638 . . . . 0.0 110.195 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -163.45 32.3 0.09 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.759 -0.588 . . . . 0.0 110.282 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -109.11 27.92 9.02 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.547 -0.72 . . . . 0.0 110.691 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.74 -40.26 84.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.488 -0.758 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -41.37 4.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.746 -0.596 . . . . 0.0 110.118 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.228 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -143.73 155.55 44.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.685 -0.891 . . . . 0.0 110.182 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.1 mtp -124.06 158.62 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.658 -0.651 . . . . 0.0 110.156 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -136.68 80.54 0.3 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -119.56 163.48 17.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.687 -0.89 . . . . 0.0 110.258 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -116.48 156.3 27.11 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.655 -0.653 . . . . 0.0 110.166 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.04 -32.14 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 121.703 -0.623 . . . . 0.0 110.111 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.14 70.23 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.557 -0.714 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -64.82 -39.4 93.52 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.631 -0.668 . . . . 0.0 110.378 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -69.55 -32.55 71.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.701 -0.624 . . . . 0.0 110.163 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -65.88 128.35 35.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.633 -0.667 . . . . 0.0 110.08 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.05 0.96 80.19 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 p -87.18 149.5 24.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.116 -1.226 . . . . 0.0 110.143 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -95.72 114.9 26.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.561 -0.712 . . . . 0.0 109.903 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.6 m -130.23 162.95 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.736 -0.602 . . . . 0.0 109.623 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -118.73 146.08 45.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.609 -0.682 . . . . 0.0 109.255 173.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -134.74 141.32 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.554 -0.716 . . . . 0.0 109.776 177.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -95.25 136.01 36.13 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.591 170.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 176.66 8.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.067 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.63 -22.07 43.34 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.686 -0.634 . . . . 0.0 111.535 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -98.77 24.45 7.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.107 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.73 25.95 12.46 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -96.25 133.0 41.13 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 170.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -109.77 137.03 48.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.537 -0.727 . . . . 0.0 110.374 -170.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.45 36.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.833 -0.542 . . . . 0.0 109.997 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 42.7 ptt85 -138.58 150.97 46.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.626 -0.671 . . . . 0.0 110.636 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -172.82 45.13 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.15 136.07 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.635 -0.92 . . . . 0.0 109.618 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.13 138.6 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.604 -0.685 . . . . 0.0 110.044 -178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.1 p -125.11 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.687 -0.633 . . . . 0.0 111.563 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -137.88 149.03 45.92 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.104 -0.997 . . . . 0.0 111.136 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -149.16 132.16 16.22 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.03 119.35 31.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.706 -0.621 . . . . 0.0 110.039 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -68.82 -26.44 65.17 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.75 -0.593 . . . . 0.0 110.756 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 t -61.23 -51.75 67.68 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.42 -0.8 . . . . 0.0 110.79 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -124.0 16.47 9.27 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.568 -0.708 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 p 46.93 67.0 0.86 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.639 -0.663 . . . . 0.0 111.547 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -113.94 132.06 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.476 -0.765 . . . . 0.0 109.684 -178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -122.76 125.3 45.22 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.215 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.93 129.12 45.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.741 -0.599 . . . . 0.0 109.792 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.8 mt -110.94 120.01 40.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.781 -0.574 . . . . 0.0 109.941 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.0 ttt85 -96.4 124.06 40.26 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.753 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.7 tp -102.11 149.57 24.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.68 -0.638 . . . . 0.0 110.786 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -9.57 14.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.95 -0.469 . . . . 0.0 111.871 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.79 30.94 0.62 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.072 -1.017 . . . . 0.0 110.985 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.01 29.37 17.61 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.042 -1.036 . . . . 0.0 110.413 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -121.32 141.46 50.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.458 -0.776 . . . . 0.0 110.106 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -127.85 144.41 51.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.712 -0.617 . . . . 0.0 110.207 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -143.96 142.05 30.52 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.639 -0.663 . . . . 0.0 110.572 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.5 p -106.83 121.07 43.67 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.802 -0.561 . . . . 0.0 109.955 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.12 130.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.635 -0.665 . . . . 0.0 109.428 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.9 t -72.72 136.63 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.26 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -64.57 -24.55 67.63 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.594 -0.691 . . . . 0.0 111.494 -172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -57.75 -25.06 59.91 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.0 110.955 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.4 9.6 20.13 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.321 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 88.9 mt -77.13 112.91 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.14 -0.975 . . . . 0.0 109.839 174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -81.21 -40.29 24.08 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.087 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -152.18 143.9 23.6 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.863 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.2 mt -123.86 144.2 49.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.73 -0.606 . . . . 0.0 110.827 -177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -147.82 158.99 44.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 110.082 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.8 mt -112.4 130.04 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.655 -0.653 . . . . 0.0 109.294 175.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.6 mt -85.5 148.57 49.68 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 121.662 -0.649 . . . . 0.0 110.078 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -63.64 142.63 84.5 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 O-C-N 123.457 1.241 . . . . 0.0 110.513 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -138.04 127.99 25.58 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.753 -0.592 . . . . 0.0 110.274 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 53.61 44.82 29.24 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.667 -0.646 . . . . 0.0 111.055 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.04 131.29 36.22 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.623 -0.673 . . . . 0.0 110.036 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.32 -48.53 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.696 -0.628 . . . . 0.0 109.814 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.24 154.68 93.73 Favored Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.711 -0.618 . . . . 0.0 110.428 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -67.21 145.67 73.38 Favored 'Trans proline' 0 N--CA 1.488 1.156 0 O-C-N 123.588 1.309 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -93.64 127.55 39.38 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.697 -0.627 . . . . 0.0 110.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t30 53.07 40.38 31.11 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.546 -0.721 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.0 -62.2 1.38 Allowed Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.6 m -119.53 137.75 53.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.712 -0.875 . . . . 0.0 110.087 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -64.41 -33.48 75.96 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.653 -0.654 . . . . 0.0 110.538 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 m -111.91 91.64 15.83 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.733 -0.604 . . . . 0.0 110.24 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.09 -29.82 56.25 Favored 'Trans proline' 0 N--CA 1.489 1.236 0 O-C-N 123.466 1.245 . . . . 0.0 110.626 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -115.16 149.74 37.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.588 -0.695 . . . . 0.0 110.137 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -111.5 140.35 46.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.623 -0.673 . . . . 0.0 110.159 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -99.7 30.14 3.78 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.697 -0.627 . . . . 0.0 110.43 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -152.73 57.63 0.8 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.613 -0.679 . . . . 0.0 110.021 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.5 t -133.21 163.86 28.36 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.513 -0.742 . . . . 0.0 110.404 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -87.21 -170.3 2.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.752 -0.592 . . . . 0.0 110.141 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.34 -39.65 93.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.561 -0.712 . . . . 0.0 110.409 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.0 pttt 36.72 41.14 0.16 Allowed 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -64.7 -33.71 76.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.665 . . . . 0.0 110.431 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.0 64.85 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.728 -0.608 . . . . 0.0 110.051 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.29 -34.1 72.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.697 -0.627 . . . . 0.0 110.133 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 m -89.82 145.34 25.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.124 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -109.75 140.97 43.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.643 -0.66 . . . . 0.0 110.241 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 t -110.17 149.43 30.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.684 -0.635 . . . . 0.0 110.091 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.6 m -109.87 144.4 38.39 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.668 -0.645 . . . . 0.0 110.303 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -159.91 36.0 0.18 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.711 -0.618 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -72.33 166.25 22.86 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.714 -0.616 . . . . 0.0 110.303 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -104.34 164.73 11.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.663 -0.648 . . . . 0.0 110.24 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -62.74 -31.21 72.09 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.614 -0.679 . . . . 0.0 110.665 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.6 p -68.12 164.57 20.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.641 -0.662 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 88.9 mmm 53.07 -179.53 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.657 -0.652 . . . . 0.0 111.188 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.99 159.35 22.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.619 -0.675 . . . . 0.0 110.386 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 92.5 m -112.47 -65.06 1.22 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.692 -0.63 . . . . 0.0 110.233 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -113.65 -36.82 4.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.675 -0.64 . . . . 0.0 110.084 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -120.89 157.93 28.75 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.695 -0.628 . . . . 0.0 110.099 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -89.93 123.63 34.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.631 -0.668 . . . . 0.0 110.189 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -77.6 -37.3 50.68 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.696 -0.628 . . . . 0.0 110.144 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t70 53.24 88.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 O-C-N 121.627 -0.67 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.568 -0.708 . . . . 0.0 110.285 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.5 149.32 28.41 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.687 -0.633 . . . . 0.0 110.159 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.09 141.29 22.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.677 -0.64 . . . . 0.0 110.266 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -140.66 165.76 26.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.736 -0.602 . . . . 0.0 110.178 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -96.75 107.18 19.6 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.664 -0.648 . . . . 0.0 110.146 179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.97 -33.36 73.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.739 -0.601 . . . . 0.0 110.357 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -63.3 -41.92 98.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.622 -0.674 . . . . 0.0 110.574 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.47 123.87 50.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.681 -0.637 . . . . 0.0 110.232 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.73 -44.38 70.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.109 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.82 158.77 43.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.668 -0.645 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.27 128.93 56.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.692 -0.63 . . . . 0.0 110.195 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -124.12 98.89 5.98 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.753 -0.592 . . . . 0.0 110.128 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.7 135.81 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.72 -0.612 . . . . 0.0 109.798 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -102.58 129.82 49.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.699 -0.626 . . . . 0.0 110.125 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -105.4 -65.6 1.04 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.708 -0.62 . . . . 0.0 110.338 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -131.69 161.83 31.86 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.348 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -98.4 136.64 38.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.724 -0.61 . . . . 0.0 110.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -90.93 141.44 28.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.728 -0.608 . . . . 0.0 110.244 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -120.11 163.87 17.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.695 -0.628 . . . . 0.0 110.205 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -132.51 163.41 28.88 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.685 -0.634 . . . . 0.0 110.337 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.507 2.378 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.894 -179.263 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.18 74.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.564 -0.962 . . . . 0.0 110.251 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.5 mtp -122.24 159.49 27.21 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.734 -0.604 . . . . 0.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 85.44 -164.65 38.26 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm -99.04 137.22 37.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.716 -0.873 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -125.72 152.67 44.99 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.706 -0.621 . . . . 0.0 110.281 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.71 -31.14 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.691 -0.631 . . . . 0.0 109.959 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.95 -28.04 68.69 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.587 -0.696 . . . . 0.0 110.714 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -63.49 -39.24 93.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.606 -0.684 . . . . 0.0 110.327 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -70.99 -33.32 70.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.668 -0.645 . . . . 0.0 110.109 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -66.17 140.24 58.18 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.643 -0.66 . . . . 0.0 110.139 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.45 5.94 89.59 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.4 p -87.3 141.34 28.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.187 -1.184 . . . . 0.0 110.298 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -87.01 114.91 24.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.6 -0.687 . . . . 0.0 109.774 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.36 162.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -118.6 143.44 46.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -131.5 142.4 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.566 -0.709 . . . . 0.0 110.011 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.4 mt -97.52 136.08 38.44 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.566 169.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.53 177.0 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.044 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.9 -22.04 46.43 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.784 -0.572 . . . . 0.0 111.535 -176.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -100.75 26.48 6.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.762 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.93 25.9 14.29 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.303 -0.873 . . . . 0.0 110.946 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -100.31 137.63 38.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HA ' HD21 ' A' ' 14' ' ' LEU . 41.5 mttt -109.63 142.75 40.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.511 -0.743 . . . . 0.0 110.417 -172.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.08 148.57 40.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.794 -0.567 . . . . 0.0 110.134 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -124.86 153.12 43.07 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.623 -0.673 . . . . 0.0 109.576 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.71 171.38 41.91 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.016 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.92 125.92 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.845 -0.797 . . . . 0.0 109.32 177.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.78 137.34 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.744 -0.597 . . . . 0.0 110.278 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.3 p -125.11 -36.21 2.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.844 -0.535 . . . . 0.0 111.311 -178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -136.97 147.89 46.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.207 -0.933 . . . . 0.0 111.049 -173.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.818 -0.551 . . . . 0.0 109.621 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.03 122.73 39.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.652 -0.655 . . . . 0.0 110.065 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.79 -25.42 62.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.832 -0.543 . . . . 0.0 110.825 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -61.14 -48.52 81.23 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.43 -0.794 . . . . 0.0 110.802 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.1 9.36 8.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.648 -0.657 . . . . 0.0 111.27 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 50.76 66.96 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.203 -0.936 . . . . 0.0 111.028 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.4 mm -114.75 132.87 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.571 -0.706 . . . . 0.0 109.719 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.1 125.08 44.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.651 -0.656 . . . . 0.0 110.314 -174.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.37 127.52 46.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.82 -0.55 . . . . 0.0 109.917 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -110.8 120.01 41.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.526 . . . . 0.0 109.864 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -99.83 120.86 40.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.661 -0.649 . . . . 0.0 109.819 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.5 tp -102.13 151.06 22.62 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.625 -0.672 . . . . 0.0 110.629 -172.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 -7.4 11.78 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.854 -0.529 . . . . 0.0 112.128 -170.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -86.76 30.94 0.7 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.086 -1.009 . . . . 0.0 110.846 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.08 29.09 17.29 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.075 -1.016 . . . . 0.0 110.339 177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 m -120.34 139.65 52.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.539 -0.726 . . . . 0.0 110.065 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -127.56 142.36 51.39 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.725 -0.61 . . . . 0.0 110.135 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -143.98 132.92 22.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 110.43 -179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -98.25 121.95 40.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 0.0 109.938 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.7 mt -129.08 131.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.701 -0.624 . . . . 0.0 109.49 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -72.56 135.79 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 p -62.42 -24.67 67.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.614 -0.679 . . . . 0.0 111.406 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -58.26 -26.12 62.55 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.956 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 9.52 19.57 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.33 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.5 mt -77.94 112.98 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.168 -0.958 . . . . 0.0 109.75 174.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -82.25 -39.49 22.94 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.051 171.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -151.95 145.31 24.76 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.848 -173.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.3 mt -127.2 144.2 51.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.795 -0.565 . . . . 0.0 110.68 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -146.94 158.34 43.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.652 -0.655 . . . . 0.0 109.86 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.7 mt -114.77 130.1 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.631 -0.668 . . . . 0.0 109.324 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt -88.28 120.91 70.63 Favored Pre-proline 0 N--CA 1.497 1.903 0 O-C-N 121.595 -0.691 . . . . 0.0 110.025 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.35 141.52 51.78 Favored 'Trans proline' 0 N--CA 1.488 1.151 0 O-C-N 123.289 1.152 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -66.36 -39.81 89.37 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.671 -0.643 . . . . 0.0 110.345 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -129.88 139.38 51.17 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.673 -0.642 . . . . 0.0 110.271 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 53.18 -161.46 0.11 Allowed 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.627 -0.671 . . . . 0.0 110.664 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 pt -118.05 160.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.516 -0.74 . . . . 0.0 110.265 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.6 ttm -95.24 124.9 52.21 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.711 -0.618 . . . . 0.0 110.142 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -68.18 -167.75 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.234 0 O-C-N 123.331 1.174 . . . . 0.0 110.25 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -88.63 144.69 26.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.654 -0.653 . . . . 0.0 110.176 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -104.03 136.0 44.49 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.729 -0.607 . . . . 0.0 110.181 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.28 -120.52 0.71 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -36.85 84.54 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.735 -0.862 . . . . 0.0 110.301 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -95.3 148.49 22.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.642 -0.661 . . . . 0.0 110.239 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 m -95.02 155.08 39.44 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.683 -0.636 . . . . 0.0 110.166 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -68.07 154.09 73.41 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 O-C-N 123.599 1.315 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -105.46 136.93 44.12 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.696 -0.627 . . . . 0.0 110.165 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 p -71.73 -34.64 69.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.765 -0.585 . . . . 0.0 110.196 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -119.82 112.45 19.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.659 -0.65 . . . . 0.0 110.239 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.8 m -125.97 140.77 52.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.621 -0.674 . . . . 0.0 110.148 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -132.98 132.47 41.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.621 -0.675 . . . . 0.0 110.191 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 64.5 mttm 53.31 40.72 31.73 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.614 -0.679 . . . . 0.0 110.991 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.44 121.27 39.15 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.633 -0.667 . . . . 0.0 110.147 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -142.86 138.49 30.31 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.632 -0.668 . . . . 0.0 110.122 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -66.11 -32.87 74.57 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.681 -0.637 . . . . 0.0 110.403 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.15 73.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.624 -0.673 . . . . 0.0 110.282 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -104.92 179.73 4.19 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.621 -0.675 . . . . 0.0 110.228 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 m 64.49 -67.95 0.11 Allowed 'General case' 0 N--CA 1.507 2.383 0 O-C-N 122.008 -0.433 . . . . 0.0 110.895 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -140.44 161.91 36.58 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.354 -0.841 . . . . 0.0 110.308 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -143.02 152.65 42.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.711 -0.618 . . . . 0.0 110.148 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.8 p -111.19 146.01 37.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.643 -0.661 . . . . 0.0 110.23 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -100.68 -36.23 9.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.8 -34.75 79.09 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.684 -0.635 . . . . 0.0 110.504 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -96.96 136.89 36.89 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.594 -0.692 . . . . 0.0 110.235 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -122.93 95.67 4.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.746 -0.596 . . . . 0.0 110.088 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.4 p -89.68 -32.11 17.19 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.684 -0.635 . . . . 0.0 110.525 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.0 mmm -120.69 149.29 42.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.637 -0.665 . . . . 0.0 110.256 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -94.24 132.89 38.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.742 -0.599 . . . . 0.0 110.155 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -160.6 33.6 0.16 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.669 -0.644 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -136.45 132.5 35.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.696 -0.627 . . . . 0.0 110.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -110.62 144.73 39.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.672 -0.642 . . . . 0.0 110.009 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -102.01 154.88 18.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.698 -0.626 . . . . 0.0 110.14 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -103.03 127.47 50.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.734 -0.604 . . . . 0.0 110.244 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -128.13 -38.69 1.78 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.706 -0.621 . . . . 0.0 110.62 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -99.52 131.14 45.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.482 -0.761 . . . . 0.0 110.227 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.67 73.31 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.716 -0.615 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.07 176.05 5.28 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.2 t30 55.01 35.59 25.01 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.589 -0.694 . . . . 0.0 110.963 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 84.9 mt -93.43 -57.52 2.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.613 -0.68 . . . . 0.0 110.142 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.5 -32.54 73.42 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.688 -0.633 . . . . 0.0 110.562 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.73 137.89 32.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.671 -0.643 . . . . 0.0 110.206 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.66 161.88 20.63 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.698 -0.626 . . . . 0.0 110.422 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.64 37.06 25.17 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.656 -0.653 . . . . 0.0 110.992 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -75.65 -51.58 12.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.227 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -100.45 140.91 34.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.719 -0.613 . . . . 0.0 110.296 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -137.8 166.18 24.64 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.661 -0.649 . . . . 0.0 110.252 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.47 141.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.721 -0.612 . . . . 0.0 109.588 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.33 129.45 42.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.616 -0.677 . . . . 0.0 110.36 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.0 163.44 39.29 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.778 -0.576 . . . . 0.0 110.055 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -89.72 122.08 32.49 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.611 -0.681 . . . . 0.0 110.003 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.85 135.07 54.02 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.712 -0.617 . . . . 0.0 110.244 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -66.79 -35.02 79.11 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.585 -0.697 . . . . 0.0 110.224 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 55.69 -84.28 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 122.026 -0.421 . . . . 0.0 111.3 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -112.82 145.28 40.91 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.241 -179.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 53.09 31.66 11.66 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.671 -0.9 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -63.16 -35.12 79.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.571 -0.706 . . . . 0.0 110.634 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.81 -47.05 0.01 OUTLIER Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mtm -97.77 -177.01 3.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.693 -0.887 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -109.92 152.59 25.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.654 -0.654 . . . . 0.0 110.361 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -66.2 -29.49 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.699 -0.625 . . . . 0.0 110.147 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -29.35 69.66 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.485 -0.759 . . . . 0.0 110.709 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -64.41 -38.35 90.72 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.562 -0.711 . . . . 0.0 110.305 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.81 -24.84 52.78 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.751 -0.593 . . . . 0.0 110.643 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.06 129.04 39.39 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.417 -0.802 . . . . 0.0 110.407 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.2 1.3 81.85 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.5 p -87.18 149.59 24.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.102 -1.234 . . . . 0.0 110.008 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -95.7 114.8 26.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.602 -0.686 . . . . 0.0 109.916 178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.8 m -130.67 159.59 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.81 -0.556 . . . . 0.0 109.651 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -118.69 146.08 44.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.516 -0.74 . . . . 0.0 109.424 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 p -133.48 142.51 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.69 -0.631 . . . . 0.0 109.853 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -93.11 136.1 33.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.198 168.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.63 174.7 8.71 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.823 175.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.22 -20.76 29.12 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.716 -0.615 . . . . 0.0 111.589 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -94.57 23.28 5.43 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.393 -0.817 . . . . 0.0 110.984 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.31 26.16 13.64 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.341 -0.85 . . . . 0.0 110.739 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -100.66 144.05 30.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.495 -0.753 . . . . 0.0 109.179 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -109.83 143.69 39.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.6 -0.688 . . . . 0.0 110.922 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.4 143.12 33.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.82 -0.55 . . . . 0.0 109.976 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.2 ptt85 -137.05 144.81 43.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.565 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -171.96 44.18 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.5 t -93.07 134.7 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 -178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 92.8 mt -75.07 139.54 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.611 -0.681 . . . . 0.0 110.031 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -125.16 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.616 -0.678 . . . . 0.0 111.522 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -137.45 147.63 45.49 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.206 -0.933 . . . . 0.0 111.073 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -149.1 129.84 14.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.862 -0.524 . . . . 0.0 109.608 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -122.05 122.3 38.96 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.632 -0.667 . . . . 0.0 109.998 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.78 -25.7 63.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.843 -0.536 . . . . 0.0 110.923 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -60.99 -49.42 77.5 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.762 . . . . 0.0 110.844 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.02 10.11 8.78 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.509 -0.744 . . . . 0.0 111.263 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m 51.15 67.02 1.01 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.239 -0.913 . . . . 0.0 110.989 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.5 mm -114.88 133.83 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.512 -0.743 . . . . 0.0 109.716 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -124.51 125.69 44.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.697 -0.627 . . . . 0.0 110.324 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -101.68 129.75 47.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.813 -0.554 . . . . 0.0 109.83 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.87 119.96 40.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.868 -0.52 . . . . 0.0 110.002 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -97.04 124.2 40.97 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.719 -0.613 . . . . 0.0 109.768 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.5 tp -102.03 145.74 28.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.733 -0.604 . . . . 0.0 110.841 -173.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -10.31 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.92 -0.487 . . . . 0.0 111.78 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -86.26 30.89 0.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.143 -0.973 . . . . 0.0 111.044 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t70 61.09 27.56 17.37 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.0 m -119.7 140.09 51.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.398 -0.813 . . . . 0.0 110.036 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.24 144.05 51.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.632 -0.668 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -143.98 142.09 30.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.671 -0.643 . . . . 0.0 110.557 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -110.31 119.37 39.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.821 -0.549 . . . . 0.0 109.801 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.53 132.07 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.624 -0.672 . . . . 0.0 109.534 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.43 137.26 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.632 -0.668 . . . . 0.0 109.276 178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.7 p -63.09 -24.64 68.0 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.576 -0.703 . . . . 0.0 111.376 -172.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -58.48 -25.11 61.95 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.324 -0.86 . . . . 0.0 110.866 -175.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.73 11.9 16.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.447 -0.783 . . . . 0.0 111.282 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.0 mt -77.73 112.91 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.23 -0.919 . . . . 0.0 109.705 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -80.6 -39.0 28.3 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.085 171.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 60.5 m-20 -153.65 150.92 29.1 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.787 -175.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -130.05 144.26 51.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.629 -0.669 . . . . 0.0 110.868 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -148.21 159.05 44.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.689 -0.632 . . . . 0.0 109.968 172.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.1 mt -113.08 130.03 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.637 -0.664 . . . . 0.0 109.31 175.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.02 154.95 82.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.598 -0.689 . . . . 0.0 110.2 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 O-C-N 123.546 1.287 . . . . 0.0 110.783 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -98.61 -65.77 0.94 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.664 -0.647 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -80.91 -27.19 36.3 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.636 -0.665 . . . . 0.0 110.898 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.26 -31.33 71.89 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.489 -0.757 . . . . 0.0 110.585 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.5 mt -103.81 134.64 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.586 -0.697 . . . . 0.0 109.608 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.6 ttp -101.36 117.19 62.57 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.7 -0.625 . . . . 0.0 110.13 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.68 143.8 87.82 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 O-C-N 123.329 1.173 . . . . 0.0 110.581 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -65.05 -33.26 75.62 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.697 -0.627 . . . . 0.0 110.431 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -136.63 -172.09 3.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.698 . . . . 0.0 110.461 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.83 -165.35 29.43 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -116.96 140.12 49.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.971 . . . . 0.0 110.207 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -101.21 142.02 33.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.733 -0.605 . . . . 0.0 110.153 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.9 m -143.05 152.38 58.2 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.595 -0.691 . . . . 0.0 110.238 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -69.51 145.97 60.29 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 O-C-N 123.622 1.328 . . . . 0.0 110.272 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -132.14 128.67 38.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.685 -0.634 . . . . 0.0 110.251 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.2 p -147.19 31.03 0.93 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.708 -0.62 . . . . 0.0 110.323 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -119.95 33.33 5.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.568 -0.708 . . . . 0.0 110.293 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -109.77 148.92 30.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.6 -0.687 . . . . 0.0 110.152 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -125.94 139.24 53.61 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.744 -0.598 . . . . 0.0 110.216 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -120.33 145.43 47.12 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.787 -0.571 . . . . 0.0 110.199 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.94 117.78 33.05 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.646 -0.659 . . . . 0.0 109.993 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -139.97 158.56 43.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.716 -0.615 . . . . 0.0 110.149 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 t -63.74 -33.0 74.69 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.584 -0.697 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.76 74.21 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.648 -0.657 . . . . 0.0 110.332 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -99.51 151.93 20.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.587 -0.696 . . . . 0.0 110.11 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.1 p 44.4 82.65 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.56 0 CA-C-O 121.103 0.478 . . . . 0.0 111.662 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -65.98 -39.03 90.0 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.668 -0.645 . . . . 0.0 110.406 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.3 t -115.42 139.22 50.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.647 -0.658 . . . . 0.0 110.344 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.0 t -88.43 -28.45 20.89 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.745 -0.597 . . . . 0.0 110.458 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.04 -29.23 69.6 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.564 -0.71 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 54.28 50.02 17.28 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.499 -0.751 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.05 -31.15 70.81 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.525 -0.734 . . . . 0.0 110.637 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -85.73 151.61 23.71 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.625 -0.672 . . . . 0.0 110.281 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.4 p 50.25 53.87 12.11 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 121.237 0.541 . . . . 0.0 111.418 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.83 -66.05 0.96 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.547 -0.721 . . . . 0.0 110.097 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -108.93 132.97 53.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.624 -0.673 . . . . 0.0 110.17 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.9 m -135.34 115.0 12.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.631 . . . . 0.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -97.5 105.43 17.57 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.725 -0.61 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -133.06 145.96 51.25 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.729 -0.607 . . . . 0.0 110.095 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -122.28 128.25 50.86 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.623 -0.673 . . . . 0.0 110.161 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -111.88 129.66 56.09 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.686 -0.634 . . . . 0.0 110.234 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -103.76 153.21 20.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.695 -0.628 . . . . 0.0 110.204 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.29 131.47 48.86 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.677 -0.64 . . . . 0.0 110.179 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.94 143.94 32.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.678 -0.639 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.64 -57.96 0.57 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.744 -0.597 . . . . 0.0 110.18 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -66.1 -35.2 79.86 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.755 -0.59 . . . . 0.0 110.305 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -99.88 142.43 31.37 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.737 -0.602 . . . . 0.0 110.259 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -107.38 152.26 24.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.13 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.5 137.03 32.69 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.705 -0.622 . . . . 0.0 110.106 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.17 133.34 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.65 -0.656 . . . . 0.0 110.286 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -142.16 -47.01 0.35 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.696 -0.627 . . . . 0.0 110.209 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -85.52 154.36 21.82 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.67 -0.644 . . . . 0.0 110.106 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.53 -33.27 72.42 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.583 -0.698 . . . . 0.0 110.547 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 58.12 166.92 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.774 -0.579 . . . . 0.0 111.006 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.8 p -125.07 143.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.498 -0.752 . . . . 0.0 110.104 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.09 -32.3 73.65 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.735 -0.603 . . . . 0.0 110.873 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.16 68.63 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.567 -0.708 . . . . 0.0 110.881 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -119.63 141.82 48.98 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.162 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -146.2 159.02 43.89 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.67 -0.644 . . . . 0.0 110.34 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -138.9 32.11 2.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 110.327 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.87 -34.36 77.63 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.574 -0.704 . . . . 0.0 110.274 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -134.07 132.64 40.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.666 -0.646 . . . . 0.0 110.174 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.215 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.74 32.39 3.92 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.682 -0.893 . . . . 0.0 110.29 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.07 -35.14 80.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.57 -0.706 . . . . 0.0 110.347 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 77.7 33.54 42.15 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt -133.54 144.92 49.67 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.589 -0.948 . . . . 0.0 110.172 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -127.82 149.56 50.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.659 -0.651 . . . . 0.0 110.247 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.6 -30.31 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.689 -0.632 . . . . 0.0 110.075 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.28 68.97 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.495 -0.753 . . . . 0.0 110.766 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -63.79 -39.75 95.0 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.577 -0.702 . . . . 0.0 110.417 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -83.22 -30.42 27.72 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.751 -0.593 . . . . 0.0 110.394 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.02 132.76 48.55 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.545 -0.722 . . . . 0.0 110.166 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.81 -0.36 89.53 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -87.15 143.22 27.4 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.148 -1.207 . . . . 0.0 110.182 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.75 114.9 27.56 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.625 -0.672 . . . . 0.0 109.888 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -130.93 162.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.735 -0.603 . . . . 0.0 109.693 178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -118.65 146.07 44.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 0.0 109.439 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.0 p -133.74 143.39 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.612 -0.68 . . . . 0.0 109.702 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.5 mt -96.9 136.09 37.96 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.325 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.52 177.5 8.69 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.928 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -58.29 -21.47 49.08 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.72 -0.613 . . . . 0.0 111.53 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -103.08 27.47 7.12 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.444 -0.785 . . . . 0.0 111.11 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.66 26.01 14.02 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.29 -0.882 . . . . 0.0 110.87 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.43 133.06 42.52 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 169.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.9 mptt -109.79 137.25 47.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 0.0 110.642 -170.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.09 150.13 40.79 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 109.946 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -141.41 149.9 41.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.6 -0.687 . . . . 0.0 110.588 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -173.33 45.61 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -91.31 138.54 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.549 -0.971 . . . . 0.0 109.759 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.8 mt -79.1 139.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.653 -0.654 . . . . 0.0 109.925 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.6 p -125.11 -36.04 2.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.706 -0.621 . . . . 0.0 111.484 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -138.16 148.77 45.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.129 -0.982 . . . . 0.0 111.121 -173.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -149.11 130.71 14.92 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -122.08 123.66 42.11 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.724 -0.61 . . . . 0.0 109.922 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -74.24 -29.17 61.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.826 -0.546 . . . . 0.0 110.789 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -63.82 -42.67 97.6 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.576 -0.702 . . . . 0.0 110.716 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -123.97 4.87 8.67 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.656 -0.652 . . . . 0.0 111.441 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 m 51.48 67.06 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.323 -0.861 . . . . 0.0 110.937 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.6 mm -117.68 134.76 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.578 -0.701 . . . . 0.0 109.626 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.39 122.78 37.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.811 -0.556 . . . . 0.0 110.211 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -96.99 128.67 44.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.765 -0.584 . . . . 0.0 109.824 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -110.85 119.98 40.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.877 -0.515 . . . . 0.0 109.855 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -98.7 124.67 43.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.768 -0.583 . . . . 0.0 109.782 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 tp -102.04 148.91 24.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.655 . . . . 0.0 110.87 -174.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.42 -8.7 14.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.94 -0.475 . . . . 0.0 111.838 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -86.1 30.58 0.67 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.15 -0.969 . . . . 0.0 111.0 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 60.84 27.54 17.34 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.985 -1.072 . . . . 0.0 110.618 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -121.41 139.05 53.95 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.098 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -132.02 140.07 48.8 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -144.08 142.03 30.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.73 -0.606 . . . . 0.0 110.354 -178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -98.3 125.77 43.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.738 -0.601 . . . . 0.0 110.049 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.1 mt -129.15 133.45 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.64 -0.662 . . . . 0.0 109.494 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.6 t -77.93 137.0 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.629 -0.669 . . . . 0.0 109.276 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -64.21 -24.62 67.74 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.643 -0.66 . . . . 0.0 111.375 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -57.7 -25.23 60.01 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.211 -0.931 . . . . 0.0 111.062 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.98 9.17 20.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 111.328 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.5 mt -78.9 112.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.161 -0.962 . . . . 0.0 109.843 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -85.03 -37.77 19.98 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.304 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -150.13 145.75 26.5 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.926 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -128.02 144.19 51.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.745 -0.597 . . . . 0.0 110.96 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -147.56 159.01 44.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.746 -0.596 . . . . 0.0 109.884 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 81.4 mt -113.48 130.06 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 109.427 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.9 mt -90.01 150.76 44.16 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.635 -0.666 . . . . 0.0 110.163 -173.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -71.0 -50.95 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 O-C-N 123.599 1.315 . . . . 0.0 110.198 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt 53.01 90.45 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.622 -0.674 . . . . 0.0 111.035 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -142.88 169.93 16.65 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.694 -0.629 . . . . 0.0 110.351 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -135.91 142.05 44.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.646 -0.659 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.9 tp -130.66 138.74 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.679 -0.638 . . . . 0.0 110.07 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 mmt -114.42 154.33 46.5 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.628 -0.67 . . . . 0.0 110.192 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.57 124.43 11.15 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.683 1.36 . . . . 0.0 110.218 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -67.56 -37.41 82.63 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.647 -0.658 . . . . 0.0 110.335 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -140.82 -178.47 5.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.698 -0.626 . . . . 0.0 110.248 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.66 -134.6 14.81 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -130.92 166.51 20.78 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.707 -0.878 . . . . 0.0 110.353 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -87.07 138.87 31.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.638 -0.664 . . . . 0.0 110.24 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -135.46 167.7 21.11 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.678 -0.639 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -64.32 146.39 89.92 Favored 'Trans proline' 0 N--CA 1.49 1.279 0 O-C-N 123.64 1.337 . . . . 0.0 110.419 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 m -116.31 151.19 36.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.639 -0.663 . . . . 0.0 110.301 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.9 m -94.02 141.46 28.5 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.689 -0.632 . . . . 0.0 110.152 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -137.52 -167.04 2.05 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.689 -0.632 . . . . 0.0 110.368 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.639 -0.663 . . . . 0.0 110.843 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.9 t -128.32 153.08 47.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.655 -0.653 . . . . 0.0 110.447 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -119.97 155.89 31.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.712 -0.618 . . . . 0.0 110.191 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -96.08 21.46 8.76 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.714 -0.616 . . . . 0.0 110.876 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.78 -33.28 75.6 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.316 -0.865 . . . . 0.0 110.371 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 m -62.59 -32.33 73.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.651 -0.656 . . . . 0.0 110.615 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.97 84.3 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.618 -0.676 . . . . 0.0 110.285 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -141.13 130.38 23.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.765 -0.584 . . . . 0.0 110.067 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 t -157.94 33.75 0.25 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.725 -0.609 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -113.89 105.79 13.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.657 -0.652 . . . . 0.0 110.182 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -162.74 110.58 1.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.652 -0.655 . . . . 0.0 110.165 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -146.48 152.69 39.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.64 -0.662 . . . . 0.0 110.263 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -100.07 -61.16 1.4 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -108.88 155.49 20.76 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.7 -0.625 . . . . 0.0 110.114 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.48 -36.21 83.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.637 -0.665 . . . . 0.0 110.43 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -112.92 131.93 55.53 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.738 -0.601 . . . . 0.0 110.167 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -154.63 33.93 0.41 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.674 -0.641 . . . . 0.0 110.315 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.7 mtm -112.12 149.75 31.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.201 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -90.81 141.6 28.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.685 -0.635 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.92 36.24 1.73 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.702 -0.624 . . . . 0.0 110.339 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 52.4 -175.84 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.476 -0.765 . . . . 0.0 111.125 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -112.54 151.65 29.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.629 -0.669 . . . . 0.0 110.169 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.57 -36.05 82.98 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.607 -0.683 . . . . 0.0 110.347 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.25 131.63 53.26 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.163 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -129.26 118.35 22.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.719 -0.613 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -104.23 130.03 52.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.629 . . . . 0.0 110.12 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.55 -64.0 1.08 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.685 -0.635 . . . . 0.0 110.284 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -152.56 156.57 39.59 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.615 -0.678 . . . . 0.0 110.273 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -66.31 -46.18 77.81 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.681 -0.637 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 tp -166.48 32.74 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.73 -0.606 . . . . 0.0 110.228 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.2 mt-10 -66.87 -33.61 75.98 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.544 -0.723 . . . . 0.0 110.397 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -128.63 132.6 48.13 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.63 -0.669 . . . . 0.0 110.084 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -154.12 35.4 0.43 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 110.386 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.28 -33.6 76.37 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.516 -0.74 . . . . 0.0 110.353 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -80.15 126.36 31.0 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.732 -0.605 . . . . 0.0 110.122 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -116.62 144.49 44.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.679 -0.638 . . . . 0.0 110.304 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -113.29 142.94 45.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.693 -0.629 . . . . 0.0 110.021 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.55 156.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.667 -0.646 . . . . 0.0 110.283 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -67.45 -34.09 76.49 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.729 -0.607 . . . . 0.0 110.239 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 53.21 31.01 10.78 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.616 -0.678 . . . . 0.0 111.08 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -110.82 134.87 52.16 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.639 -0.663 . . . . 0.0 110.068 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -124.37 -45.33 1.96 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -125.93 137.17 53.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.7 -0.625 . . . . 0.0 110.178 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -88.17 -47.77 8.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.675 -0.641 . . . . 0.0 110.221 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 53.16 42.44 32.16 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.593 -0.692 . . . . 0.0 110.86 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.373 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.62 149.72 25.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.633 -0.922 . . . . 0.0 110.145 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 53.8 ttp -65.2 -35.34 80.76 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.63 -0.669 . . . . 0.0 110.356 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 166.91 -161.26 35.09 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -90.52 148.6 22.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.76 -0.847 . . . . 0.0 110.093 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -118.22 150.2 39.81 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.611 -0.681 . . . . 0.0 110.412 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.3 -30.33 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.734 -0.604 . . . . 0.0 110.07 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.56 68.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.49 -0.756 . . . . 0.0 110.746 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.44 -38.64 91.91 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.19 -33.06 72.76 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.613 -0.679 . . . . 0.0 110.103 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 125.5 24.22 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.664 -0.648 . . . . 0.0 110.024 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.41 0.95 90.28 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -87.15 148.75 25.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -1.199 . . . . 0.0 110.021 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -93.29 114.89 27.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.549 -0.719 . . . . 0.0 109.99 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.1 m -132.16 163.69 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -118.67 146.08 44.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.529 -0.732 . . . . 0.0 109.652 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -132.07 142.78 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.655 -0.653 . . . . 0.0 109.809 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.6 mt -93.68 135.99 34.41 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.346 166.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.88 174.07 9.54 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.888 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -58.01 -21.05 43.15 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.695 -0.628 . . . . 0.0 111.545 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -96.88 25.34 5.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.493 -0.754 . . . . 0.0 111.031 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.72 26.66 15.8 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.269 -0.894 . . . . 0.0 110.979 171.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -102.11 141.59 34.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.41 -0.807 . . . . 0.0 109.299 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -109.93 139.07 45.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.53 -0.731 . . . . 0.0 110.863 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 150.91 41.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.808 -0.557 . . . . 0.0 109.978 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.6 ptt180 -137.75 155.93 48.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.517 -0.739 . . . . 0.0 110.49 -179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.67 179.56 48.51 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 176.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.97 132.08 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.74 -0.859 . . . . 0.0 109.283 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 135.32 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.631 -0.668 . . . . 0.0 110.27 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.6 p -125.17 -14.69 6.48 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.907 -0.496 . . . . 0.0 111.677 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -158.04 151.54 23.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.938 -1.101 . . . . 0.0 111.081 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -149.09 133.66 17.69 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -122.01 119.31 31.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.755 -0.591 . . . . 0.0 109.978 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -68.37 -31.16 70.34 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.874 -0.516 . . . . 0.0 110.71 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -61.14 -48.92 79.39 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.502 -0.749 . . . . 0.0 110.875 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -123.95 14.98 9.26 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.745 . . . . 0.0 111.264 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 p 46.95 67.16 0.83 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.571 -0.706 . . . . 0.0 111.643 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.7 mm -114.14 130.99 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.482 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.2 tp -123.7 124.29 42.41 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.686 . . . . 0.0 110.399 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.91 126.91 42.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.791 -0.568 . . . . 0.0 109.55 172.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -111.07 126.4 54.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.748 -0.595 . . . . 0.0 110.083 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt85 -111.85 119.59 39.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.735 -0.603 . . . . 0.0 110.048 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.4 tp -101.99 158.15 16.36 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 -173.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.82 -4.27 8.8 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.984 -0.447 . . . . 0.0 112.034 -171.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.63 29.79 0.77 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.094 -1.004 . . . . 0.0 110.806 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.45 17.5 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.151 -0.968 . . . . 0.0 110.294 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -123.95 137.83 54.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.528 -0.733 . . . . 0.0 110.134 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -130.59 148.63 52.41 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.708 -0.62 . . . . 0.0 110.201 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -143.49 142.01 30.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.681 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.8 p -103.31 114.29 28.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.858 -0.526 . . . . 0.0 109.877 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.13 132.19 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.669 -0.644 . . . . 0.0 109.529 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 38.1 t -71.63 136.94 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.331 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.1 p -63.26 -24.53 67.91 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.552 -0.718 . . . . 0.0 111.355 -173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.64 -25.3 62.6 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.229 -0.92 . . . . 0.0 110.968 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.22 11.04 17.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 97.2 mt -75.16 112.99 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.205 -0.935 . . . . 0.0 109.747 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.05 -39.17 30.33 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.947 171.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 61.0 m-20 -153.2 155.95 37.62 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.645 -0.659 . . . . 0.0 110.78 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.6 mt -135.99 144.2 45.22 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.658 -0.651 . . . . 0.0 110.989 -176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -148.81 159.21 44.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.74 -0.6 . . . . 0.0 109.629 172.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.6 mt -108.42 130.02 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.517 -0.74 . . . . 0.0 109.45 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt -79.06 161.8 66.94 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.596 -0.69 . . . . 0.0 110.159 -175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -61.44 134.24 50.48 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 O-C-N 123.636 1.335 . . . . 0.0 110.769 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -146.62 -60.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.77 -0.581 . . . . 0.0 109.951 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -147.65 27.33 1.0 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.807 -0.558 . . . . 0.0 110.624 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.16 -42.14 9.54 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.29 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.0 mt -116.41 135.42 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.7 -0.625 . . . . 0.0 109.677 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 tpt -98.43 138.53 20.82 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.735 -0.603 . . . . 0.0 109.993 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -65.88 150.93 85.39 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 O-C-N 123.41 1.216 . . . . 0.0 110.432 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.15 127.85 34.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.629 -0.669 . . . . 0.0 110.224 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -109.38 145.86 35.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.69 -0.631 . . . . 0.0 110.187 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -34.16 88.67 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -110.89 143.08 42.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.676 -0.896 . . . . 0.0 110.024 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -90.11 120.81 31.61 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.673 -0.642 . . . . 0.0 110.216 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -129.94 79.22 73.56 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.739 -0.601 . . . . 0.0 110.053 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -66.64 142.91 66.15 Favored 'Trans proline' 0 N--CA 1.488 1.184 0 O-C-N 123.543 1.286 . . . . 0.0 110.408 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -130.01 -49.71 1.12 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.688 -0.633 . . . . 0.0 110.211 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -134.84 149.97 50.42 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.346 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -68.34 -38.6 81.65 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.71 -0.619 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -157.33 169.76 24.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.691 -0.631 . . . . 0.0 110.21 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -119.64 151.96 37.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.646 -0.659 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -143.1 140.89 31.06 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 110.168 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -93.86 135.25 35.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.684 -0.635 . . . . 0.0 110.167 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -97.38 -35.55 10.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.668 -0.645 . . . . 0.0 110.335 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 m -63.7 -34.25 77.45 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.693 -0.63 . . . . 0.0 110.528 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.3 72.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.738 -0.602 . . . . 0.0 110.425 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.32 -32.77 74.6 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.6 -0.688 . . . . 0.0 110.489 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.1 p -113.52 163.11 15.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.629 -0.669 . . . . 0.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.28 -33.2 6.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.672 -0.642 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -132.52 160.1 37.51 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.739 -0.6 . . . . 0.0 110.196 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.9 m -116.2 151.22 36.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.671 -0.643 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -91.05 128.12 36.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.652 -0.655 . . . . 0.0 110.271 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 54.05 31.43 13.66 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.599 -0.688 . . . . 0.0 111.078 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -135.17 96.96 3.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.623 -0.673 . . . . 0.0 110.045 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -162.02 -60.8 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.596 -0.69 . . . . 0.0 110.289 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -97.67 -37.01 10.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.386 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -67.15 -42.26 84.64 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.648 -0.657 . . . . 0.0 110.33 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -109.92 148.37 31.7 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.657 -0.652 . . . . 0.0 110.21 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.3 t 52.78 94.43 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.637 -0.664 . . . . 0.0 111.021 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.47 174.88 6.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.624 -0.673 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -102.94 145.4 29.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.636 -0.665 . . . . 0.0 110.2 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 52.02 -173.12 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.596 -0.69 . . . . 0.0 111.063 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.3 150.66 39.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 110.135 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -83.63 134.63 34.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.585 . . . . 0.0 110.144 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -104.21 136.96 42.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.68 -0.638 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.7 32.61 12.28 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.592 -0.692 . . . . 0.0 111.009 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.07 148.87 23.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.756 -0.59 . . . . 0.0 110.177 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -95.97 104.63 16.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.693 -0.63 . . . . 0.0 110.258 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.78 139.8 39.03 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.643 -0.66 . . . . 0.0 110.208 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.8 134.65 47.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.668 -0.645 . . . . 0.0 110.098 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -106.44 133.93 50.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.751 -0.593 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -74.11 -52.09 13.65 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.714 -0.616 . . . . 0.0 110.288 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -67.79 -37.7 82.37 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.691 -0.631 . . . . 0.0 110.432 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -101.39 144.42 30.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.593 -0.692 . . . . 0.0 110.417 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -129.8 138.06 50.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.742 -0.599 . . . . 0.0 109.983 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 51.98 89.61 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.625 -0.672 . . . . 0.0 110.84 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.72 137.29 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.631 -0.668 . . . . 0.0 109.82 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.52 136.88 45.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.712 -0.618 . . . . 0.0 110.053 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -158.29 -45.3 0.06 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.676 -0.64 . . . . 0.0 110.377 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.625 -0.672 . . . . 0.0 110.462 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.78 129.09 54.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.689 -0.632 . . . . 0.0 110.162 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -95.88 -63.23 1.17 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.666 -0.647 . . . . 0.0 110.097 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -110.09 30.56 6.62 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.655 -0.653 . . . . 0.0 110.294 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -124.4 143.49 50.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.706 . . . . 0.0 110.21 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.506 2.328 0 CA-C-O 117.863 -1.065 . . . . 0.0 111.084 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.32 150.52 24.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.71 -0.876 . . . . 0.0 110.175 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.25 -34.83 79.02 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.662 -0.649 . . . . 0.0 110.446 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 163.28 129.32 1.02 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -128.31 156.23 43.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.693 -0.886 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -120.44 152.55 37.81 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.68 -0.637 . . . . 0.0 110.185 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.45 -30.59 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.709 -0.62 . . . . 0.0 110.202 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.8 71.67 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.506 -0.747 . . . . 0.0 110.72 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.23 -39.0 93.06 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.616 -0.677 . . . . 0.0 110.484 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.14 -33.59 73.68 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.665 -0.647 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -68.74 130.6 43.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.671 -0.643 . . . . 0.0 109.891 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.41 -0.24 89.31 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -87.31 144.75 26.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -1.169 . . . . 0.0 110.127 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.64 114.9 27.33 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.644 -0.66 . . . . 0.0 109.947 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.81 162.36 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -118.63 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.517 -0.739 . . . . 0.0 109.491 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -133.87 143.13 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.486 -0.759 . . . . 0.0 109.757 177.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 20' ' ' LYS . 2.6 mt -96.3 136.09 37.25 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.416 168.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.74 176.69 8.78 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.93 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.43 -21.89 39.74 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.725 -0.61 . . . . 0.0 111.592 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -99.03 24.72 7.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.124 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.66 25.91 12.3 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.205 -0.934 . . . . 0.0 110.677 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -96.71 132.99 41.82 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 170.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 14' ' ' LEU . 58.5 mttt -109.69 137.03 48.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.391 -170.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.0 148.2 38.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.771 -0.58 . . . . 0.0 110.04 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -139.64 150.37 44.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.576 -0.702 . . . . 0.0 110.665 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.83 -173.52 45.78 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.1 t -90.75 140.08 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.595 -0.944 . . . . 0.0 109.698 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 84.1 mt -80.45 139.48 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.653 -0.654 . . . . 0.0 109.964 -178.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 p -125.1 -36.07 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.669 -0.645 . . . . 0.0 111.509 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -138.57 148.74 44.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.091 -1.006 . . . . 0.0 111.107 -173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -149.13 130.77 14.95 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -122.03 122.11 38.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.663 -0.648 . . . . 0.0 110.025 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -71.14 -26.17 62.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.784 -0.572 . . . . 0.0 110.878 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -61.68 -48.5 80.5 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.438 -0.789 . . . . 0.0 110.76 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -124.1 9.66 8.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.525 -0.734 . . . . 0.0 111.251 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m 51.15 67.07 1.0 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.193 -0.942 . . . . 0.0 111.001 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mm -115.16 132.9 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.488 -0.757 . . . . 0.0 109.638 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -124.29 122.91 39.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -174.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -97.88 129.03 44.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 120.344 -0.543 . . . . 0.0 109.761 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.96 120.01 40.98 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.856 177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -96.81 125.28 41.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.81 -0.556 . . . . 0.0 109.715 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.5 tp -102.01 152.17 21.28 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.852 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -9.41 12.54 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.998 -0.439 . . . . 0.0 111.871 -173.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -85.08 30.99 0.56 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.096 -1.002 . . . . 0.0 111.081 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.12 16.98 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.028 -1.045 . . . . 0.0 110.45 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -122.98 139.25 54.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.076 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -130.28 141.36 50.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.656 -0.652 . . . . 0.0 110.179 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -144.04 142.06 30.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.673 -0.642 . . . . 0.0 110.334 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -97.59 126.47 42.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.69 -0.631 . . . . 0.0 110.237 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.0 mt -128.93 133.01 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.659 -0.651 . . . . 0.0 109.395 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.9 t -77.06 136.99 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.647 -0.658 . . . . 0.0 109.264 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -64.41 -24.56 67.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.615 -0.678 . . . . 0.0 111.363 -172.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -58.4 -25.05 61.67 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.262 -0.899 . . . . 0.0 110.891 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.36 9.2 21.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.477 -0.764 . . . . 0.0 111.303 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.3 mt -77.35 112.97 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.221 -0.924 . . . . 0.0 109.807 174.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -81.75 -39.63 23.88 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.109 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -152.52 145.87 24.79 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.84 -173.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.6 mt -126.83 144.2 51.04 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.785 -0.572 . . . . 0.0 110.913 -176.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -148.0 159.06 44.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.746 -0.596 . . . . 0.0 109.82 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.35 130.02 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.581 -0.699 . . . . 0.0 109.498 177.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 mt -84.21 155.73 63.44 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.631 -0.668 . . . . 0.0 110.005 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -67.01 118.48 5.6 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 O-C-N 123.633 1.333 . . . . 0.0 110.466 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.47 -33.16 74.56 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.66 -0.65 . . . . 0.0 110.342 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.24 36.17 21.94 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.606 -0.684 . . . . 0.0 110.872 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.4 -32.72 72.98 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.716 -0.615 . . . . 0.0 110.292 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.25 -26.24 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.647 -0.658 . . . . 0.0 110.919 -178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.4 mtt -96.27 117.18 66.36 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.515 -0.74 . . . . 0.0 110.045 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -67.43 -34.58 26.1 Favored 'Trans proline' 0 N--CA 1.488 1.2 0 O-C-N 123.327 1.172 . . . . 0.0 110.374 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -137.13 127.91 27.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.662 -0.649 . . . . 0.0 110.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.71 -36.0 82.36 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.694 -0.629 . . . . 0.0 110.358 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 166.55 -91.48 0.1 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 154.06 50.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.658 -0.907 . . . . 0.0 110.32 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.21 137.58 45.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.279 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.8 m -139.71 161.3 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.709 -0.619 . . . . 0.0 110.134 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -62.7 133.96 44.85 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 O-C-N 123.609 1.321 . . . . 0.0 110.615 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -147.62 135.77 21.39 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.728 -0.608 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 p -129.35 158.43 39.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.701 -0.625 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -158.7 128.68 5.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.592 -0.692 . . . . 0.0 110.246 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -123.93 140.9 52.53 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.633 -0.667 . . . . 0.0 110.28 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -131.88 139.06 48.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.739 -0.601 . . . . 0.0 110.011 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -115.11 122.22 45.45 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.667 -0.646 . . . . 0.0 110.209 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tt -138.82 107.49 5.9 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.733 -0.605 . . . . 0.0 109.843 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.96 31.99 4.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.608 -0.682 . . . . 0.0 110.569 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.3 t -65.37 -37.04 85.82 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.533 -0.729 . . . . 0.0 110.296 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.7 72.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.606 -0.684 . . . . 0.0 110.241 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 52.84 85.19 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.55 -0.719 . . . . 0.0 110.968 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -141.47 161.61 37.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.656 -0.652 . . . . 0.0 110.393 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -71.38 143.22 50.26 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.747 -0.595 . . . . 0.0 110.074 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.6 t -138.53 150.88 46.83 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.689 -0.632 . . . . 0.0 110.145 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 m -63.92 -36.01 82.54 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.706 -0.621 . . . . 0.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.89 130.97 54.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.676 -0.64 . . . . 0.0 110.087 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -112.45 129.9 56.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.595 -0.691 . . . . 0.0 110.279 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -103.1 116.86 33.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.179 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -119.5 137.37 53.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.591 -0.693 . . . . 0.0 110.141 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.3 m -125.67 136.43 53.21 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.181 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -146.49 -46.94 0.19 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.637 -0.664 . . . . 0.0 110.089 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -87.25 140.14 29.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.662 -0.649 . . . . 0.0 110.15 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.9 p -122.34 167.34 13.39 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.732 -0.605 . . . . 0.0 110.368 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.23 116.22 23.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.667 -0.646 . . . . 0.0 110.246 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -108.02 143.07 37.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.789 -0.569 . . . . 0.0 110.098 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -95.01 130.37 41.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.252 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -69.84 -44.4 69.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.687 -0.633 . . . . 0.0 110.257 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.701 -0.624 . . . . 0.0 110.472 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.26 126.25 50.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.643 -0.66 . . . . 0.0 110.321 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.13 152.02 23.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 0.0 110.084 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.78 150.32 30.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.71 -0.619 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 53.22 39.54 29.86 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.614 -0.679 . . . . 0.0 110.974 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.4 tp -107.05 123.67 48.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.601 -0.687 . . . . 0.0 110.17 179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -124.8 129.91 51.36 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.664 -0.647 . . . . 0.0 110.12 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -134.98 135.51 41.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.676 -0.64 . . . . 0.0 110.169 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.97 21.79 16.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.699 -0.626 . . . . 0.0 110.869 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.48 -37.1 82.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.386 -0.821 . . . . 0.0 110.203 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -102.5 110.57 22.55 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.785 -0.572 . . . . 0.0 110.221 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -141.26 126.21 18.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 110.119 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 52.33 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.563 -0.711 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.6 t 58.13 164.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 O-C-N 121.793 -0.567 . . . . 0.0 110.744 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -100.77 135.1 42.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.501 -0.749 . . . . 0.0 110.24 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.6 160.95 28.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.708 -0.62 . . . . 0.0 110.15 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 52.68 -175.24 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.534 -0.729 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -123.16 156.06 35.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.744 -0.597 . . . . 0.0 110.274 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -69.79 153.5 43.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.72 -0.613 . . . . 0.0 110.107 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -93.45 138.9 31.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.682 -0.636 . . . . 0.0 110.129 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -132.66 37.38 3.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.647 -0.658 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.222 -179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.88 32.1 4.12 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.625 -0.926 . . . . 0.0 110.43 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -88.96 -63.98 1.21 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.637 -0.665 . . . . 0.0 110.196 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -88.82 -176.88 46.69 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm 52.19 94.57 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.684 -0.892 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -114.85 150.36 35.65 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.629 -0.669 . . . . 0.0 110.257 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.3 -29.5 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.762 -0.586 . . . . 0.0 110.246 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.09 72.07 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.515 -0.74 . . . . 0.0 110.687 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.09 -40.03 94.01 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.671 -0.643 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -75.48 -30.39 59.88 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.632 -0.668 . . . . 0.0 110.439 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.07 128.99 38.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.514 -0.741 . . . . 0.0 110.121 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.33 83.0 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 p -87.16 151.96 22.74 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.206 -1.173 . . . . 0.0 110.046 179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -96.21 114.92 26.65 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.643 -0.661 . . . . 0.0 109.897 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.3 m -129.56 159.46 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.8 -0.562 . . . . 0.0 109.748 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -118.69 146.01 45.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.607 -0.683 . . . . 0.0 109.649 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -132.93 142.93 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.869 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -93.67 136.07 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.276 166.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.19 174.54 8.55 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.914 175.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.87 -20.73 24.59 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 121.626 -0.671 . . . . 0.0 111.594 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -93.94 22.92 5.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.375 -0.828 . . . . 0.0 111.062 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.27 25.9 13.25 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.301 -0.874 . . . . 0.0 110.787 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -101.43 145.11 29.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.583 -0.698 . . . . 0.0 109.184 170.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -109.88 144.15 38.77 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.615 -0.678 . . . . 0.0 110.906 -173.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.91 142.71 34.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.775 -0.578 . . . . 0.0 109.967 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.3 ptt85 -137.15 144.35 42.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.552 -0.718 . . . . 0.0 110.556 -178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.8 -172.02 44.24 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.3 t -92.26 138.21 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.528 -0.983 . . . . 0.0 109.574 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 91.0 mt -78.35 139.07 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.538 -0.726 . . . . 0.0 109.967 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.3 p -125.13 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.667 -0.646 . . . . 0.0 111.575 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -136.97 148.05 46.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.092 -1.005 . . . . 0.0 111.099 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -149.16 130.51 14.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -122.08 122.0 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 110.104 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.79 -25.95 63.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.815 -0.553 . . . . 0.0 110.872 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.52 -49.31 77.23 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.423 -0.798 . . . . 0.0 110.848 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -123.99 10.37 8.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.564 -0.71 . . . . 0.0 111.342 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 51.25 67.01 1.01 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.083 -1.011 . . . . 0.0 110.955 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 44.6 mm -114.32 133.47 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.582 -0.699 . . . . 0.0 109.671 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.56 125.49 44.27 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.646 -0.659 . . . . 0.0 110.227 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.71 129.86 47.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.796 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.9 120.02 41.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.884 -0.51 . . . . 0.0 110.004 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -95.88 124.08 39.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 22.9 tp -102.19 148.1 25.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 0.0 110.784 -174.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -7.56 15.03 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.905 -0.497 . . . . 0.0 111.953 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.85 29.35 0.81 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.037 -1.039 . . . . 0.0 110.982 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.41 27.78 17.31 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.05 -1.031 . . . . 0.0 110.516 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -120.45 141.86 49.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.466 -0.771 . . . . 0.0 110.112 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -128.91 145.49 51.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.681 -0.637 . . . . 0.0 110.241 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -143.99 142.07 30.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.68 -0.638 . . . . 0.0 110.577 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.4 p -110.02 118.8 37.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.787 -0.571 . . . . 0.0 109.855 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -129.02 130.96 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.586 -0.696 . . . . 0.0 109.493 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.4 t -72.35 136.35 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.8 p -62.57 -24.68 67.67 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.604 -0.685 . . . . 0.0 111.331 -173.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -57.59 -25.02 59.42 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 110.934 -175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -86.99 8.42 23.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.413 -0.805 . . . . 0.0 111.31 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.9 113.01 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.137 -0.977 . . . . 0.0 109.783 175.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -80.22 -39.67 28.64 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.843 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 59.8 m-20 -153.4 155.92 37.28 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.666 -176.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 mt -134.58 144.12 47.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.607 -0.683 . . . . 0.0 110.936 -177.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -147.1 158.16 43.85 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.755 -0.59 . . . . 0.0 109.749 171.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.9 mt -114.99 129.97 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.636 -0.665 . . . . 0.0 109.433 176.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt -82.5 162.9 54.46 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.673 -0.642 . . . . 0.0 110.022 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -61.3 144.46 98.61 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 O-C-N 123.671 1.353 . . . . 0.0 110.725 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.11 31.89 3.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.669 -0.644 . . . . 0.0 110.328 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -136.88 159.91 40.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.53 -0.731 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -135.59 131.83 36.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.622 -0.674 . . . . 0.0 110.154 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -90.39 -48.08 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.625 -0.672 . . . . 0.0 109.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.3 mtt -114.37 160.74 31.69 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.662 -0.649 . . . . 0.0 110.253 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -65.76 127.3 17.6 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 O-C-N 123.671 1.353 . . . . 0.0 110.475 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.37 -40.06 89.49 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.765 -0.584 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -145.1 -176.35 5.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.72 -0.613 . . . . 0.0 110.377 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.93 -171.34 16.07 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -64.06 -30.9 71.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.689 -0.889 . . . . 0.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -137.36 -63.15 0.6 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.599 -0.688 . . . . 0.0 110.166 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -140.74 156.83 68.77 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -67.41 142.45 59.78 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 O-C-N 123.656 1.345 . . . . 0.0 110.362 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -130.31 151.61 50.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.672 -0.642 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.7 p -129.57 164.3 24.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.642 -0.661 . . . . 0.0 110.182 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 t30 53.96 -178.49 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.509 -0.744 . . . . 0.0 110.902 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.2 m -97.02 154.98 16.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.248 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 m -117.99 169.11 9.92 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.666 -0.647 . . . . 0.0 110.155 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.8 mttt 54.43 47.36 23.03 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.549 -0.72 . . . . 0.0 110.879 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 79.2 mt -93.14 135.75 34.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.548 -0.72 . . . . 0.0 110.117 178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -101.69 120.97 41.18 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.722 -0.611 . . . . 0.0 110.21 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 t -67.38 -31.93 72.49 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.734 -0.604 . . . . 0.0 110.496 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.92 77.11 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.657 -0.652 . . . . 0.0 110.567 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -105.2 119.38 38.91 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 110.274 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -69.44 -37.38 77.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.666 -0.646 . . . . 0.0 110.082 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -120.55 159.77 24.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.683 -0.635 . . . . 0.0 110.269 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -95.97 146.35 24.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.715 -0.616 . . . . 0.0 110.146 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -114.77 158.41 21.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.666 -0.646 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -69.64 146.68 51.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.781 -0.574 . . . . 0.0 110.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.07 136.17 33.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.719 -0.613 . . . . 0.0 110.179 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -64.74 -33.08 75.12 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.745 -0.597 . . . . 0.0 110.5 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -97.44 142.48 29.24 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.665 -0.647 . . . . 0.0 110.325 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.2 p -98.53 167.71 10.64 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.786 -0.571 . . . . 0.0 110.229 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 90.5 mtp -84.4 134.54 34.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.743 -0.598 . . . . 0.0 110.135 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -89.06 132.97 34.53 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.715 -0.616 . . . . 0.0 110.162 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 96.9 m -89.25 -40.46 12.81 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.67 -0.644 . . . . 0.0 110.2 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -144.5 146.79 32.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.71 -0.619 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -112.21 154.67 25.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.627 -0.67 . . . . 0.0 110.136 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -104.45 150.47 24.53 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.724 -0.61 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -146.25 -62.77 0.31 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.665 -0.647 . . . . 0.0 110.37 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -65.03 -39.2 93.04 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.71 -0.619 . . . . 0.0 110.44 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -119.31 143.96 47.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.741 -0.599 . . . . 0.0 110.334 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.14 -34.49 7.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.713 -0.617 . . . . 0.0 110.16 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.4 158.53 43.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.759 -0.588 . . . . 0.0 110.114 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -95.72 107.15 19.34 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.693 -0.629 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.74 -33.32 74.64 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.717 -0.614 . . . . 0.0 110.411 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -94.78 -170.31 2.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.604 -0.685 . . . . 0.0 110.302 -177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 57.22 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 O-C-N 122.017 -0.427 . . . . 0.0 111.363 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.26 126.67 45.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.153 -0.967 . . . . 0.0 110.378 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 52.7 -177.52 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.633 -0.667 . . . . 0.0 111.272 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -162.25 130.31 4.03 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.665 -0.647 . . . . 0.0 110.262 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -97.5 -46.78 5.91 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 110.246 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 52.42 72.83 0.38 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.612 -0.68 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 50.0 t -118.01 130.3 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.471 -0.768 . . . . 0.0 109.723 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -68.77 -42.67 77.11 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.709 -0.619 . . . . 0.0 110.255 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -101.65 153.33 19.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.634 -0.666 . . . . 0.0 110.306 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -97.28 150.57 20.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.705 -0.622 . . . . 0.0 110.218 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -66.84 -32.62 74.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.739 -0.6 . . . . 0.0 110.464 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -101.33 148.49 25.08 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.709 -0.62 . . . . 0.0 110.264 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -110.98 161.83 15.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -82.68 133.8 35.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.713 -0.617 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.332 -179.856 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.58 -42.34 5.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.679 -0.894 . . . . 0.0 110.255 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.71 -34.01 77.31 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.732 -0.605 . . . . 0.0 110.551 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 86.16 63.2 1.52 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mtp 53.3 -179.15 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.561 -0.964 . . . . 0.0 111.2 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -130.02 156.85 43.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.8 -27.41 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.726 -0.609 . . . . 0.0 110.251 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.89 67.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.459 -0.776 . . . . 0.0 110.807 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.97 -38.89 92.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.583 -0.698 . . . . 0.0 110.363 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -78.56 -30.49 46.88 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.681 -0.637 . . . . 0.0 110.287 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 127.09 29.77 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.63 -0.669 . . . . 0.0 110.194 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.73 1.69 90.58 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -87.18 151.39 23.22 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.076 -1.249 . . . . 0.0 110.095 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -95.56 114.82 26.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.588 -0.695 . . . . 0.0 110.014 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -132.68 164.37 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.865 -0.522 . . . . 0.0 109.654 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -118.64 146.07 44.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.543 -0.723 . . . . 0.0 109.669 173.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 p -132.32 141.82 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 109.82 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 54' ' ' ASP . 3.7 mt -92.66 136.08 33.53 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.312 166.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.45 173.18 9.81 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.809 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.76 -21.69 30.21 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.644 -0.66 . . . . 0.0 111.448 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.71 24.84 5.0 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.506 -0.746 . . . . 0.0 111.026 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 59.11 26.61 15.35 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.257 -0.902 . . . . 0.0 110.91 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -101.73 142.62 32.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.468 -0.77 . . . . 0.0 109.28 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -109.88 138.82 45.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.541 -0.725 . . . . 0.0 110.97 -174.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.03 149.03 39.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.781 -0.575 . . . . 0.0 109.934 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -137.03 155.17 50.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.448 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.69 -179.8 48.67 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.61 132.65 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.615 -0.933 . . . . 0.0 109.358 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.09 135.95 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.0 p -125.09 -15.46 6.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.965 -0.459 . . . . 0.0 111.602 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -157.51 152.25 25.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.957 -1.09 . . . . 0.0 110.983 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -149.16 134.92 18.78 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.081 0.467 . . . . 0.0 109.765 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.06 125.22 45.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.725 -0.61 . . . . 0.0 109.605 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.3 p -78.86 -32.87 46.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.75 -0.593 . . . . 0.0 110.781 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.3 p -68.61 -34.58 76.01 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.683 -0.636 . . . . 0.0 110.606 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -124.02 -0.86 8.35 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.644 -0.66 . . . . 0.0 111.47 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m 53.08 67.04 1.06 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.033 -1.042 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.1 mm -119.78 134.32 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.586 -0.696 . . . . 0.0 109.545 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -126.6 124.76 40.66 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.511 -0.743 . . . . 0.0 110.369 -173.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -97.07 127.07 42.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.835 -0.541 . . . . 0.0 109.573 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.1 mt -110.93 125.55 53.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.698 -0.626 . . . . 0.0 110.218 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -111.49 119.9 40.32 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.759 -0.588 . . . . 0.0 109.996 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.1 tp -101.85 157.71 16.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.657 -0.652 . . . . 0.0 110.507 -174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.47 -2.18 8.15 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.923 -0.486 . . . . 0.0 112.145 -171.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -86.9 26.84 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.991 -1.068 . . . . 0.0 111.014 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.14 -0.975 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -123.39 138.19 54.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.379 -0.826 . . . . 0.0 110.241 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -132.26 147.17 52.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.721 -0.612 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -144.02 142.01 30.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.627 -0.671 . . . . 0.0 110.778 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.2 p -100.52 116.33 32.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.795 -0.566 . . . . 0.0 109.963 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.59 132.64 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.662 -0.649 . . . . 0.0 109.525 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.6 137.34 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.638 -0.664 . . . . 0.0 109.27 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -64.0 -24.67 67.81 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.558 -0.714 . . . . 0.0 111.25 -174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -59.11 -25.34 63.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.23 -0.919 . . . . 0.0 110.786 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.11 12.3 16.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.478 -0.764 . . . . 0.0 111.264 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.7 mt -73.24 112.96 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.186 -0.946 . . . . 0.0 109.664 172.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -79.37 -40.35 30.37 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.889 170.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' HB2' ' HB2' ' A' ' 14' ' ' LEU . 59.8 m-20 -153.64 155.95 37.0 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.77 -175.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.4 mt -134.95 144.27 47.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 110.946 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -148.51 159.05 44.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.801 -0.562 . . . . 0.0 109.646 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.5 mt -109.29 130.08 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 176.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.6 mt -82.98 159.47 62.75 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.719 -0.613 . . . . 0.0 110.196 -175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -64.79 174.27 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 O-C-N 123.709 1.373 . . . . 0.0 110.613 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -69.27 166.84 17.62 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.767 -0.583 . . . . 0.0 110.216 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.58 48.03 1.13 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.698 -0.627 . . . . 0.0 110.177 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -64.24 -33.11 75.06 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.47 -0.769 . . . . 0.0 110.303 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.7 mt -112.88 138.86 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.44 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.4 tpt -68.0 117.09 45.37 Favored Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.706 -0.621 . . . . 0.0 110.151 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.67 156.47 60.9 Favored 'Trans proline' 0 N--CA 1.487 1.112 0 O-C-N 123.378 1.199 . . . . 0.0 110.322 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -70.04 134.8 48.64 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.701 -0.624 . . . . 0.0 109.953 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -98.05 134.39 41.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.685 -0.635 . . . . 0.0 110.074 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.5 79.96 0.37 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -62.84 -39.49 94.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.602 -0.94 . . . . 0.0 110.374 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.86 89.48 2.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.713 -0.617 . . . . 0.0 110.193 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.2 p -134.86 81.16 47.14 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.593 -0.692 . . . . 0.0 110.15 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -65.84 -28.81 50.76 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 O-C-N 123.543 1.286 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.6 p -65.0 -30.69 71.69 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.46 -0.775 . . . . 0.0 110.729 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.7 p -125.07 158.2 34.37 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.495 -0.753 . . . . 0.0 110.493 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -131.79 126.55 34.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.682 -0.636 . . . . 0.0 110.028 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -114.15 140.43 48.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.64 -0.662 . . . . 0.0 110.319 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -114.35 29.81 7.75 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.681 -0.637 . . . . 0.0 110.516 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 52.78 32.49 12.3 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.491 -0.755 . . . . 0.0 110.991 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.12 -42.91 75.42 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.658 -0.651 . . . . 0.0 110.224 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -67.35 -38.03 84.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.704 -0.622 . . . . 0.0 110.419 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.4 p -66.63 -27.81 67.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.693 -0.629 . . . . 0.0 110.63 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.99 79.13 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.485 -0.759 . . . . 0.0 110.564 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.08 131.36 53.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 110.201 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 p -130.87 146.43 52.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.692 -0.63 . . . . 0.0 110.213 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -69.0 -41.02 78.36 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.613 -0.679 . . . . 0.0 110.122 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.1 t -118.27 146.54 44.22 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.732 -0.605 . . . . 0.0 110.276 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.07 160.9 32.06 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.77 -0.582 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -125.81 33.16 5.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.646 -0.659 . . . . 0.0 110.438 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.58 97.73 7.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.679 -0.638 . . . . 0.0 110.186 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -141.79 122.79 14.57 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.195 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.9 p90 -148.24 157.27 43.4 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.726 -0.609 . . . . 0.0 110.275 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.95 -65.27 0.97 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.684 -0.635 . . . . 0.0 110.099 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 57.2 mtt -147.34 30.12 0.94 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.653 -0.655 . . . . 0.0 110.379 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -101.65 132.86 47.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.635 -0.666 . . . . 0.0 110.255 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 t 57.95 166.39 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.593 -0.692 . . . . 0.0 110.997 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.27 155.84 18.44 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.584 -0.698 . . . . 0.0 110.248 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -128.09 138.03 52.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.691 -0.631 . . . . 0.0 110.049 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.33 -38.46 81.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.715 -0.616 . . . . 0.0 110.232 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -109.99 132.26 54.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.679 . . . . 0.0 110.295 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -106.95 121.82 45.2 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.653 -0.654 . . . . 0.0 110.283 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -68.6 -45.03 73.04 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.619 -0.676 . . . . 0.0 110.29 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.67 140.96 45.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.601 -0.687 . . . . 0.0 110.255 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.63 149.26 18.35 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.688 -0.632 . . . . 0.0 110.302 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -127.41 -66.76 0.87 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.694 -0.629 . . . . 0.0 110.19 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.6 mm? 51.74 84.11 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.587 -0.695 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -123.99 144.39 49.84 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.126 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -65.71 -34.89 79.25 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.619 -0.675 . . . . 0.0 110.326 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -118.66 153.9 33.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.64 -0.662 . . . . 0.0 110.15 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.23 165.83 34.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.732 -0.605 . . . . 0.0 110.196 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -69.91 134.43 48.4 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.716 -0.615 . . . . 0.0 110.02 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -96.29 137.2 35.71 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.66 -0.65 . . . . 0.0 110.285 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.82 161.15 32.42 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.694 -0.629 . . . . 0.0 110.14 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.54 129.53 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.687 -0.633 . . . . 0.0 109.661 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -130.08 151.73 50.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.683 -0.636 . . . . 0.0 110.257 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.88 136.42 38.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.709 -0.619 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -158.47 34.58 0.23 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.663 -0.648 . . . . 0.0 110.413 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -64.57 -39.08 93.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.662 -0.649 . . . . 0.0 110.32 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -63.31 -35.98 82.17 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.693 -0.63 . . . . 0.0 110.423 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.53 -35.27 80.38 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.763 -0.585 . . . . 0.0 110.377 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -65.22 -34.18 77.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.67 -0.644 . . . . 0.0 110.362 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.113 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.52 -83.0 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.787 -0.831 . . . . 0.0 111.088 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.8 ptp -142.98 33.69 1.37 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.225 -0.922 . . . . 0.0 110.422 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.22 91.07 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -131.61 153.76 49.58 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.671 -0.9 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 m -121.94 150.65 41.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.67 -0.644 . . . . 0.0 110.251 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.4 -31.17 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.731 -0.605 . . . . 0.0 110.106 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.65 70.8 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.524 -0.735 . . . . 0.0 110.629 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -64.34 -39.83 94.66 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.563 -0.711 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -69.23 -33.48 73.36 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.685 -0.635 . . . . 0.0 110.069 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.98 129.62 40.45 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.662 -0.649 . . . . 0.0 109.894 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.61 -3.05 87.36 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.18 146.95 25.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.179 -1.189 . . . . 0.0 110.061 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.67 114.87 27.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.676 -0.64 . . . . 0.0 110.103 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.62 157.93 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.744 -0.597 . . . . 0.0 109.751 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -118.63 145.97 45.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.478 -0.764 . . . . 0.0 109.502 173.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.55 142.9 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.614 -0.678 . . . . 0.0 109.749 178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.31 136.13 36.05 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.427 169.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.73 177.36 8.4 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.954 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.98 -21.85 46.55 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.805 -0.559 . . . . 0.0 111.523 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -98.72 24.33 7.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.52 -0.737 . . . . 0.0 111.156 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.81 25.66 12.23 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.325 -0.859 . . . . 0.0 110.74 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.61 133.42 42.18 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.8 mttt -109.68 139.12 45.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.5 -0.75 . . . . 0.0 110.422 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.08 146.15 35.11 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.81 -0.556 . . . . 0.0 110.02 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -138.64 147.45 42.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.555 -0.716 . . . . 0.0 110.441 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -172.54 44.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 61.0 t -87.71 143.26 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.615 -0.932 . . . . 0.0 109.71 -177.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -80.9 139.88 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.597 -0.689 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.5 p -125.16 -36.22 2.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.596 -0.69 . . . . 0.0 111.545 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -138.58 145.79 41.02 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.031 -1.043 . . . . 0.0 111.068 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -149.07 127.48 12.25 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.872 -0.518 . . . . 0.0 109.603 172.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -122.06 122.09 38.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.639 -0.663 . . . . 0.0 110.116 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -68.78 -29.76 68.2 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.792 -0.568 . . . . 0.0 110.768 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -60.33 -47.54 85.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.545 -0.722 . . . . 0.0 110.94 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.99 9.07 8.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.569 -0.707 . . . . 0.0 111.252 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m 50.76 66.98 1.01 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.274 -0.891 . . . . 0.0 110.911 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.4 mm -113.5 133.75 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -125.4 123.83 40.15 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.645 . . . . 0.0 110.353 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -101.25 128.38 47.41 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.774 173.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -110.94 120.01 40.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.827 -0.546 . . . . 0.0 109.935 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -98.06 126.26 43.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 109.857 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.2 tp -102.18 147.65 26.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.601 -0.687 . . . . 0.0 110.84 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.39 -8.94 15.06 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.932 -0.48 . . . . 0.0 111.859 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.28 30.15 0.71 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.079 -1.013 . . . . 0.0 111.013 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 61.65 27.81 17.13 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.97 -1.081 . . . . 0.0 110.568 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 m -121.53 139.1 53.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.0 110.014 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -132.36 143.87 50.14 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.684 -0.635 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -144.09 141.99 30.36 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.803 -0.56 . . . . 0.0 110.509 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.2 p -106.32 121.06 43.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.75 -0.594 . . . . 0.0 109.92 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -129.56 131.5 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.643 -0.661 . . . . 0.0 109.503 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.22 137.55 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 109.268 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -61.47 -24.5 66.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.545 -0.722 . . . . 0.0 111.408 -172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -57.53 -24.83 58.24 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.366 -0.834 . . . . 0.0 110.982 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.27 8.98 21.8 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.483 -0.761 . . . . 0.0 111.317 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 87.6 mt -78.03 113.0 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.148 -0.97 . . . . 0.0 109.789 174.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -81.75 -39.55 23.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.064 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -152.66 144.65 23.73 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.621 -0.674 . . . . 0.0 110.88 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.9 mt -124.69 144.21 50.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.744 -0.597 . . . . 0.0 110.87 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.93 156.79 44.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.722 -0.611 . . . . 0.0 109.762 170.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -114.98 129.96 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.609 -0.682 . . . . 0.0 109.456 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.1 mt -82.07 120.93 78.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.639 -0.663 . . . . 0.0 109.817 -175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -61.93 140.48 85.14 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 O-C-N 123.294 1.155 . . . . 0.0 110.79 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.16 -60.66 1.68 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.727 -0.608 . . . . 0.0 110.071 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -140.61 -59.96 0.51 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.828 -0.545 . . . . 0.0 110.152 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -121.25 151.8 39.59 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 tt -146.15 53.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.654 -0.654 . . . . 0.0 110.163 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.7 mtp -114.12 158.64 38.96 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.611 -0.68 . . . . 0.0 110.16 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.31 -32.75 40.86 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 O-C-N 123.702 1.37 . . . . 0.0 110.509 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -112.54 125.05 53.83 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.7 -0.625 . . . . 0.0 110.204 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -120.76 148.61 43.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.247 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.78 47.73 8.43 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -64.77 -40.64 95.6 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.653 -0.91 . . . . 0.0 110.312 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -136.53 32.29 2.79 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.61 -0.681 . . . . 0.0 110.398 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -146.65 162.56 33.4 Favored Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.643 -0.66 . . . . 0.0 110.186 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -62.28 150.95 85.15 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 O-C-N 123.642 1.338 . . . . 0.0 110.656 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -68.6 153.6 43.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.712 -0.617 . . . . 0.0 110.194 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -125.7 140.15 52.95 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.607 -0.683 . . . . 0.0 110.16 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -103.52 150.93 23.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 110.075 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.2 t -102.47 136.0 43.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.732 -0.605 . . . . 0.0 110.176 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 t -144.52 168.54 19.89 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.704 -0.622 . . . . 0.0 110.376 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.35 -31.93 72.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.647 -0.658 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.1 mt -87.5 146.8 25.65 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.697 -0.627 . . . . 0.0 110.174 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -90.26 159.97 16.41 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.683 -0.636 . . . . 0.0 110.243 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.3 m -61.51 -31.04 71.02 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.669 -0.644 . . . . 0.0 110.637 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.57 -31.37 72.51 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.554 -0.716 . . . . 0.0 110.449 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -96.76 176.73 5.88 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.5 p -69.08 149.56 48.57 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.617 -0.677 . . . . 0.0 110.11 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -91.42 -61.23 1.69 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.651 -0.656 . . . . 0.0 110.227 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -150.33 131.86 14.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.653 . . . . 0.0 110.243 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -131.58 146.4 52.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.694 -0.629 . . . . 0.0 110.256 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -148.61 32.11 0.79 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -150.34 -47.35 0.13 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.573 -0.704 . . . . 0.0 110.102 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -97.98 163.54 12.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.762 -0.586 . . . . 0.0 110.201 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -95.2 142.74 27.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.629 -0.669 . . . . 0.0 110.167 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 m -67.83 155.09 40.13 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.734 -0.604 . . . . 0.0 110.249 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.2 mtm -119.98 150.77 39.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.76 -0.587 . . . . 0.0 110.223 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -93.83 144.86 25.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.47 124.17 40.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.707 -0.62 . . . . 0.0 110.114 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -66.24 -39.44 89.54 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.688 -0.632 . . . . 0.0 110.459 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -122.38 146.53 47.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.685 -0.634 . . . . 0.0 110.256 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -114.73 135.41 54.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.694 -0.629 . . . . 0.0 110.078 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -74.32 -31.95 62.65 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.649 -0.657 . . . . 0.0 110.414 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -84.93 128.88 34.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.609 -0.682 . . . . 0.0 110.042 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -123.74 161.41 25.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.621 -0.675 . . . . 0.0 110.335 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.35 155.67 18.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.72 -32.9 74.7 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.696 -0.628 . . . . 0.0 110.417 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -104.02 91.98 4.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.659 -0.65 . . . . 0.0 110.115 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -153.59 119.3 5.29 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.721 -0.612 . . . . 0.0 110.194 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -140.73 107.67 5.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.621 -0.674 . . . . 0.0 110.223 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 52.03 -174.44 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.676 -0.64 . . . . 0.0 111.104 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.79 149.01 42.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.699 -0.625 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 130.92 34.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.699 -0.626 . . . . 0.0 110.158 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 140.56 38.63 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.632 -0.668 . . . . 0.0 110.28 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -98.17 151.42 20.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.727 -0.608 . . . . 0.0 110.067 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -95.35 101.86 13.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.588 -0.695 . . . . 0.0 110.204 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.15 163.81 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.724 -0.61 . . . . 0.0 110.068 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -98.36 124.4 42.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.721 -0.612 . . . . 0.0 110.175 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 51.76 89.83 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.662 -0.649 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -70.25 -35.9 74.12 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.653 -0.654 . . . . 0.0 110.138 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.22 -39.97 86.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.643 -0.661 . . . . 0.0 110.443 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 52.98 -179.61 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.586 -0.696 . . . . 0.0 111.179 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.31 -39.48 78.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.629 -0.67 . . . . 0.0 110.096 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -138.35 131.23 29.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.358 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.66 0 N-CA-C 110.968 -0.853 . . . . 0.34 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -87.2 155.43 20.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.117 -1.225 . . . . 1.15 109.97 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -96.49 114.8 26.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.614 -0.679 . . . . 1.99 110.119 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.506 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -131.25 162.41 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.842 -0.536 . . . . 0.15 109.591 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -118.77 146.04 45.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.565 -0.709 . . . . 0.94 109.428 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.867 ' CG2' HG23 ' A' ' 52' ' ' ILE . 13.1 p -134.13 142.87 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.581 -0.7 . . . . 0.16 109.902 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.1 136.1 33.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.173 -1.011 . . . . 0.21 109.419 168.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.15 174.24 9.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.7 -0.8 . . . . 0.17 110.09 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -56.48 -22.01 29.61 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.688 -0.632 . . . . 0.66 111.611 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -95.5 24.31 5.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.509 -0.744 . . . . 0.95 110.971 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.19 26.2 13.5 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.346 -0.846 . . . . 1.07 110.762 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 p -96.98 142.01 29.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.27 109.103 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB3' HD22 ' A' ' 14' ' ' LEU . 16.3 ptmt -109.9 139.27 45.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 2.26 110.76 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.99 148.14 38.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.763 -0.585 . . . . 0.24 110.018 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -135.59 153.35 51.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.513 -0.742 . . . . 2.11 110.417 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.66 -179.36 48.76 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.491 -1.444 . . . . 0.24 109.491 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.18 133.28 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.681 -0.893 . . . . 0.28 109.382 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -65.71 136.9 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.598 -0.688 . . . . 0.33 110.261 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.4 p -125.11 -16.53 6.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.965 -0.459 . . . . 0.56 111.551 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -158.31 152.11 23.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.007 -1.058 . . . . 1.13 111.134 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -149.03 133.26 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.561 -0.533 . . . . 0.46 109.561 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.08 122.75 39.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.652 . . . . 1.04 109.881 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -73.61 -29.55 62.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.755 -0.59 . . . . 1.31 110.778 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -63.73 -44.19 94.29 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.525 -0.735 . . . . 1.13 110.788 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.03 6.92 8.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.526 -0.734 . . . . 1.68 111.377 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m 51.88 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.284 -0.885 . . . . 0.98 111.047 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 45.7 mm -116.65 132.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.547 -0.721 . . . . 0.23 109.5 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 37' ' ' LEU . 11.0 tp -124.72 124.24 41.73 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.71 -0.619 . . . . 0.21 110.307 -173.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -96.98 127.47 42.98 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.515 -0.55 . . . . 0.93 109.515 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 35' ' ' LEU . 89.8 mt -110.96 125.23 53.48 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.789 -0.57 . . . . 0.36 110.098 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 65.3 ttt180 -111.95 120.27 41.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.766 -0.584 . . . . 2.92 109.965 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.1 tp -102.01 158.69 15.97 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.361 0.6 . . . . 0.48 110.528 -173.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.04 -1.2 6.98 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.872 -0.518 . . . . 0.27 112.142 -170.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -87.53 26.45 1.26 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.102 -0.999 . . . . 1.89 110.822 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.1 27.82 17.59 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.109 -0.994 . . . . 1.95 110.465 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -122.49 137.45 54.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.462 -0.774 . . . . 0.36 110.189 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -131.82 146.48 52.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.757 -0.59 . . . . 0.36 110.212 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 47' ' ' ILE . 70.0 tttt -143.93 138.98 28.88 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.692 -0.63 . . . . 2.29 110.493 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.0 p -96.54 119.73 35.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.711 -0.618 . . . . 0.17 109.988 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.9 mt -129.9 130.45 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.602 -0.686 . . . . 0.25 109.5 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 41.6 t -72.7 136.27 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.58 -0.7 . . . . 0.23 109.116 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -63.29 -24.59 67.93 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 0.18 111.401 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.69 -25.21 62.62 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.363 -0.836 . . . . 2.93 110.741 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -89.46 13.06 14.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.461 -0.774 . . . . 0.23 111.274 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.867 HG23 ' CG2' ' A' ' 13' ' ' VAL . 94.8 mt -77.03 112.97 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.175 -0.953 . . . . 0.16 109.677 172.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -40.0 29.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 120.103 -0.639 . . . . 1.92 110.023 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.88 149.65 27.55 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.977 -0.689 . . . . 0.66 110.864 -175.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 52' ' ' ILE . 15.7 mt -128.34 144.2 51.1 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.771 -0.581 . . . . 0.21 110.99 -176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -146.96 159.06 44.01 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.731 -0.605 . . . . 1.47 109.819 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 HG12 ' A' ' 11' ' ' VAL . 65.3 mt -113.45 130.12 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.653 -0.654 . . . . 0.34 109.331 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.565 -0.71 . . . . 0.52 109.965 -176.405 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.696 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -87.16 148.03 25.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -1.201 . . . . 0.0 110.01 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -91.31 114.8 27.43 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.6 -0.687 . . . . 0.0 110.014 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 57' ' ' ILE . 26.9 m -131.84 164.49 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.783 -0.573 . . . . 0.0 109.545 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.0 tt0 -118.61 145.98 45.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.555 -0.716 . . . . 0.0 109.521 173.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.4 p -133.68 142.49 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.465 -0.772 . . . . 0.0 109.679 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.82 136.0 37.98 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.424 169.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.04 176.17 9.02 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.836 -0.746 . . . . 0.0 109.964 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.55 -22.46 44.76 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.718 -0.614 . . . . 0.0 111.481 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -100.7 25.49 7.81 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 111.234 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 59.05 26.06 14.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.175 -0.953 . . . . 0.0 110.952 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -98.13 132.91 43.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 167.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.7 ' HG2' HD22 ' A' ' 14' ' ' LEU . 42.3 mttt -109.74 135.92 49.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.55 -0.719 . . . . 0.0 110.358 -171.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.14 151.08 41.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.797 -0.565 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -136.61 157.43 46.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.559 -0.713 . . . . 0.0 110.263 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.92 48.56 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.1 132.59 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.894 . . . . 0.0 109.434 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.56 137.14 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.698 -0.626 . . . . 0.0 110.244 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.728 HG21 ' HB2' ' A' ' 38' ' ' ARG . 29.6 p -125.2 -16.11 6.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.903 -0.498 . . . . 0.0 111.604 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -158.19 151.86 23.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.985 -1.072 . . . . 0.0 111.132 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -149.08 132.66 16.76 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -122.12 123.16 40.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 109.828 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -74.39 -29.46 61.54 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.798 -0.563 . . . . 0.0 110.755 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -64.08 -42.83 96.8 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 110.734 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.734 ' OD1' HD11 ' A' ' 34' ' ' ILE . 8.4 t-20 -124.0 5.09 8.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.566 -0.709 . . . . 0.0 111.463 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 52.11 67.1 1.03 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.116 -0.99 . . . . 0.0 111.091 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 46.2 mm -117.8 132.46 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.523 -0.735 . . . . 0.0 109.579 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.72 123.57 40.28 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.712 -0.618 . . . . 0.0 110.309 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.91 128.66 44.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.813 -0.555 . . . . 0.0 109.587 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -112.22 126.0 54.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.759 -0.588 . . . . 0.0 110.091 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.728 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.5 ttt85 -112.2 121.35 44.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.757 -0.589 . . . . 0.0 109.933 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.9 tp -102.02 158.0 16.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.536 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.38 -4.68 8.61 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.899 -0.5 . . . . 0.0 112.083 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.47 29.83 0.75 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.034 -1.041 . . . . 0.0 110.798 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.87 29.49 17.63 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.168 -0.957 . . . . 0.0 110.316 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.6 m -123.55 137.16 54.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.505 -0.747 . . . . 0.0 110.218 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -131.06 146.63 52.44 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.696 -0.627 . . . . 0.0 110.172 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HD2' HD11 ' A' ' 47' ' ' ILE . 36.9 ttmt -144.04 140.04 29.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.715 -0.616 . . . . 0.0 110.475 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -97.18 120.11 36.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.73 -0.606 . . . . 0.0 110.012 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 45' ' ' LYS . 80.1 mt -129.61 130.53 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.658 -0.651 . . . . 0.0 109.508 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 40.1 t -73.13 136.41 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -63.07 -24.57 67.97 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.557 -0.715 . . . . 0.0 111.346 -172.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.78 -25.28 62.93 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.278 -0.888 . . . . 0.0 111.039 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.11 10.53 18.93 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.489 -0.757 . . . . 0.0 111.289 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.6 mt -76.13 112.92 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.19 -0.944 . . . . 0.0 109.722 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -81.45 -39.6 24.6 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 120.091 -0.643 . . . . 0.0 110.146 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.6 m-20 -152.73 146.6 25.25 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.624 -0.673 . . . . 0.0 110.867 -173.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 52' ' ' ILE . 15.8 mt -127.81 144.24 51.09 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.696 -0.627 . . . . 0.0 110.892 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -149.04 159.0 44.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.737 -0.602 . . . . 0.0 109.819 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 11' ' ' VAL . 68.7 mt -110.76 130.1 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.57 -0.706 . . . . 0.0 109.423 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' GLU . 47.4 mt . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.618 -0.676 . . . . 0.0 110.097 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.528 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 25' ' ' ILE . 75.3 p -87.17 150.0 24.25 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -1.179 . . . . 0.0 110.11 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -96.91 114.95 26.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.624 -0.672 . . . . 0.0 110.015 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 25' ' ' ILE . 30.6 m -129.68 163.9 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.856 -0.528 . . . . 0.0 109.6 178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 58' ' ' LEU . 48.7 tt0 -118.64 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 109.236 172.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.6 p -135.43 140.8 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.627 -0.671 . . . . 0.0 109.725 177.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -95.59 136.05 36.47 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.719 171.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 177.65 8.41 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.004 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -58.73 -21.56 55.53 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.704 -0.622 . . . . 0.0 111.539 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -99.17 24.26 8.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.415 -0.803 . . . . 0.0 111.139 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 58.16 25.63 12.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.297 -0.877 . . . . 0.0 110.776 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p -97.16 132.94 42.45 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.704 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.76 139.09 45.22 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.49 -171.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 148.54 38.68 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.801 -0.562 . . . . 0.0 110.046 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' O ' HD13 ' A' ' 39' ' ' LEU . 10.9 ptm180 -139.45 147.39 41.31 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.652 -0.655 . . . . 0.0 110.395 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -173.33 45.6 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.64 141.43 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.575 -0.956 . . . . 0.0 109.755 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG ' ' A' ' 9' ' ' SER . 96.2 mt -80.73 139.61 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.552 -0.717 . . . . 0.0 110.025 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.9 p -125.19 -36.16 2.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.738 -0.601 . . . . 0.0 111.483 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -139.28 150.14 45.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.139 -0.975 . . . . 0.0 111.063 -173.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -149.1 133.34 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.07 123.28 41.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.699 -0.626 . . . . 0.0 109.885 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -75.84 -30.51 58.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.775 -0.578 . . . . 0.0 110.727 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -66.82 -38.92 87.39 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.523 -0.736 . . . . 0.0 110.716 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.0 2.62 8.68 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.643 -0.66 . . . . 0.0 111.492 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 51.83 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 121.19 -0.943 . . . . 0.0 110.936 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.07 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.26 133.43 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.638 -0.664 . . . . 0.0 109.645 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -125.09 124.72 42.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.683 -0.635 . . . . 0.0 110.154 -174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -98.91 129.49 45.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.811 -0.556 . . . . 0.0 109.84 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.89 119.94 40.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.897 -0.502 . . . . 0.0 109.89 178.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.4 ttt85 -96.91 125.04 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.738 -0.601 . . . . 0.0 109.751 176.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.4 tp -102.1 151.05 22.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.709 -0.619 . . . . 0.0 110.773 -174.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.44 -8.45 13.57 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.9 -0.5 . . . . 0.0 111.941 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -86.01 29.74 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.111 -0.993 . . . . 0.0 111.049 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 60.56 27.5 17.18 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.93 -1.106 . . . . 0.0 110.492 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -121.62 141.68 50.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.423 -0.798 . . . . 0.0 110.119 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.76 144.12 51.14 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.658 -0.651 . . . . 0.0 110.191 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -144.03 138.51 28.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.624 -0.672 . . . . 0.0 110.315 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -99.38 122.98 43.27 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.778 -0.576 . . . . 0.0 109.989 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.9 mt -128.87 131.52 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.668 -0.645 . . . . 0.0 109.455 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.07 HG22 HD12 ' A' ' 34' ' ' ILE . 39.6 t -74.85 136.24 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.634 -0.667 . . . . 0.0 109.22 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.418 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.5 p -64.5 -24.53 67.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.61 -0.681 . . . . 0.0 111.473 -172.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.99 -24.72 59.32 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.256 -0.902 . . . . 0.0 110.825 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.51 9.5 20.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.481 -0.762 . . . . 0.0 111.368 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.9 mt -77.08 112.98 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.124 -0.985 . . . . 0.0 109.802 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -82.38 -39.95 22.0 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.219 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 m-20 -150.85 143.17 24.23 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.616 -0.678 . . . . 0.0 110.839 -173.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 52' ' ' ILE . 15.0 mt -123.5 144.18 49.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.732 -0.605 . . . . 0.0 110.878 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -147.68 159.02 44.25 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.744 -0.597 . . . . 0.0 110.01 170.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 11' ' ' VAL . 83.2 mt -113.46 130.01 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.606 -0.684 . . . . 0.0 109.356 176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 12' ' ' GLU . 42.1 mt . . . . . 0 N--CA 1.497 1.902 0 O-C-N 121.588 -0.695 . . . . 0.0 109.953 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.585 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -87.18 141.6 28.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.255 -1.144 . . . . 0.0 110.081 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.39 114.8 27.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.603 -0.685 . . . . 0.0 109.621 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -133.94 163.86 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.675 -0.64 . . . . 0.0 109.939 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.9 tt0 -118.67 146.13 44.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.539 -0.726 . . . . 0.0 109.557 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.86 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.13 142.51 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.772 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.82 136.12 36.66 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.461 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.71 176.51 8.91 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.101 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -56.66 -22.62 35.91 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.696 -0.628 . . . . 0.0 111.461 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -100.22 25.45 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.532 -0.73 . . . . 0.0 111.019 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.13 25.83 12.94 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.294 -0.879 . . . . 0.0 110.742 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -93.78 132.97 37.65 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HG2' HD22 ' A' ' 14' ' ' LEU . 33.7 mttp -109.71 135.93 49.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.483 -171.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 153.0 43.79 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.792 -0.568 . . . . 0.0 109.822 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.2 ptt180 -143.24 152.79 42.11 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.566 -0.709 . . . . 0.0 110.668 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.85 -174.74 46.83 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.17 130.37 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.59 -0.947 . . . . 0.0 109.78 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 37' ' ' LEU . 90.1 mt -69.61 141.81 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.663 -0.648 . . . . 0.0 110.027 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.19 -36.1 2.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.72 -0.613 . . . . 0.0 111.504 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -141.05 150.56 43.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.099 -1.001 . . . . 0.0 111.103 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -149.11 133.25 17.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.05 121.22 36.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.706 -0.622 . . . . 0.0 109.899 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -70.82 -26.15 63.17 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.869 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 t -61.52 -49.63 75.95 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.431 -0.793 . . . . 0.0 110.773 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.766 ' OD1' HD11 ' A' ' 34' ' ' ILE . 10.1 t-20 -124.04 10.79 8.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.584 -0.698 . . . . 0.0 111.342 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m 51.31 67.0 1.02 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.252 -0.905 . . . . 0.0 111.177 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.067 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -115.79 131.81 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.471 -0.768 . . . . 0.0 109.684 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.34 123.7 41.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.785 -0.572 . . . . 0.0 110.242 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.04 127.68 43.25 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.793 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.2 mt -110.94 119.95 40.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.844 -0.535 . . . . 0.0 109.971 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.665 ' HB2' HG21 ' A' ' 26' ' ' THR . 6.1 tmm_? -97.79 124.76 42.29 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.674 -0.641 . . . . 0.0 109.822 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.09 149.69 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.694 -0.629 . . . . 0.0 110.835 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.85 -9.27 14.1 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.973 -0.455 . . . . 0.0 111.847 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.75 31.03 0.62 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.144 -0.973 . . . . 0.0 110.978 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 57.89 29.45 17.59 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.03 -1.043 . . . . 0.0 110.335 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -121.62 141.17 51.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.069 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -128.77 142.84 50.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.619 -0.676 . . . . 0.0 110.175 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -144.04 137.5 27.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.322 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.0 p -99.19 122.71 42.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.697 -0.627 . . . . 0.0 109.976 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -128.29 134.89 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 109.481 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.067 HG22 HD12 ' A' ' 34' ' ' ILE . 40.5 t -78.79 135.92 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.614 -0.679 . . . . 0.0 109.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.41 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.6 p -63.57 -24.6 67.87 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.585 -0.697 . . . . 0.0 111.351 -172.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -58.29 -25.09 61.42 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.362 -0.836 . . . . 0.0 110.799 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -87.84 10.13 19.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.467 -0.771 . . . . 0.0 111.413 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.86 HG23 ' CG2' ' A' ' 13' ' ' VAL . 82.2 mt -78.52 112.97 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.213 -0.929 . . . . 0.0 109.831 174.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -82.04 -39.61 23.25 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.149 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.5 m-20 -152.42 145.23 24.36 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.892 -173.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 52' ' ' ILE . 15.5 mt -125.54 144.24 50.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.764 -0.585 . . . . 0.0 110.788 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -147.59 159.02 44.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.6 -0.688 . . . . 0.0 109.824 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 HG12 ' A' ' 11' ' ' VAL . 83.1 mt -112.89 130.06 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.614 -0.679 . . . . 0.0 109.411 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 12' ' ' GLU . 71.0 mt . . . . . 0 N--CA 1.497 1.909 0 O-C-N 121.691 -0.63 . . . . 0.0 110.129 -176.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.588 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -87.19 149.07 24.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.232 -1.158 . . . . 0.0 110.113 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.65 114.86 26.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 109.949 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 25' ' ' ILE . 27.1 m -129.48 162.24 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.762 -0.586 . . . . 0.0 109.754 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.0 tt0 -118.68 146.02 45.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.578 -0.701 . . . . 0.0 109.706 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.868 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.7 p -133.49 143.27 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 110.019 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.76 136.07 34.42 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.356 167.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.16 175.46 8.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.868 174.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.75 -20.61 36.13 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.713 -0.617 . . . . 0.0 111.589 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -95.16 23.74 5.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.434 -0.791 . . . . 0.0 111.031 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.56 25.76 13.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.39 -0.819 . . . . 0.0 110.783 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -100.9 143.35 31.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.516 -0.74 . . . . 0.0 109.172 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HB3' HD22 ' A' ' 14' ' ' LEU . 30.3 pttt -109.9 141.12 43.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.525 -0.735 . . . . 0.0 110.964 -174.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.36 146.26 44.3 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.811 -0.556 . . . . 0.0 109.882 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.564 ' O ' HD13 ' A' ' 39' ' ' LEU . 9.1 ptm180 -138.39 144.51 40.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.525 -0.735 . . . . 0.0 110.578 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -175.0 47.06 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.82 138.3 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.72 -0.871 . . . . 0.0 109.742 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 89.8 mt -80.49 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.587 -0.696 . . . . 0.0 110.112 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.541 HG21 ' CG ' ' A' ' 38' ' ' ARG . 39.7 p -125.22 -36.17 2.54 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.723 -0.611 . . . . 0.0 111.638 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.131 -0.98 . . . . 0.0 111.166 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -149.13 129.47 13.79 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.07 121.53 37.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.742 -0.599 . . . . 0.0 110.03 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.5 m -69.41 -29.96 67.81 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.746 -0.597 . . . . 0.0 110.696 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -60.33 -47.58 85.45 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 0.0 110.941 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.569 ' OD1' HD11 ' A' ' 34' ' ' ILE . 4.5 t-20 -123.98 8.96 8.7 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 111.359 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m 51.27 67.05 1.01 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.047 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.99 134.58 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.0 109.728 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD11 HG23 ' A' ' 25' ' ' ILE . 11.9 tp -124.59 125.42 44.14 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 110.212 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -102.92 129.0 49.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.737 -0.602 . . . . 0.0 109.89 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.88 122.25 47.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.851 -0.53 . . . . 0.0 110.191 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' CG ' HG21 ' A' ' 26' ' ' THR . 10.4 mmt85 -95.17 124.22 39.09 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.741 -0.6 . . . . 0.0 109.715 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.9 tp -102.08 149.52 24.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.763 -0.585 . . . . 0.0 110.777 -174.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.48 -7.55 14.88 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.953 -0.467 . . . . 0.0 111.919 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.83 28.68 0.87 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.039 -1.038 . . . . 0.0 110.981 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 t0 61.21 28.02 17.67 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.958 -1.089 . . . . 0.0 110.466 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.2 m -118.71 143.96 46.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.341 -0.849 . . . . 0.0 110.267 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -123.18 145.86 48.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.674 -0.641 . . . . 0.0 110.085 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -144.1 141.96 30.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.639 -0.663 . . . . 0.0 110.65 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.0 p -115.88 116.89 28.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.812 -0.555 . . . . 0.0 109.833 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.24 131.22 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 109.516 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.047 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.37 136.72 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.618 -0.676 . . . . 0.0 109.25 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 52' ' ' ILE . 75.0 p -62.4 -24.6 67.48 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.606 -0.684 . . . . 0.0 111.433 -172.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -57.25 -25.07 58.57 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.25 -0.906 . . . . 0.0 111.039 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -87.44 9.46 20.72 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.388 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.868 HG23 ' CG2' ' A' ' 13' ' ' VAL . 84.5 mt -78.87 113.0 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.181 -0.949 . . . . 0.0 109.792 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -81.57 -38.78 25.58 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.154 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.2 m-20 -153.35 147.94 26.18 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.853 -175.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 52' ' ' ILE . 16.1 mt -127.77 144.15 51.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.779 -0.576 . . . . 0.0 110.898 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -146.28 159.02 43.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.73 -0.606 . . . . 0.0 109.722 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 HG12 ' A' ' 11' ' ' VAL . 78.4 mt -113.39 130.05 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.458 -0.776 . . . . 0.0 109.379 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.8 mt . . . . . 0 N--CA 1.497 1.884 0 O-C-N 121.751 -0.593 . . . . 0.0 110.039 -174.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.54 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.418 ' OG ' HD12 ' A' ' 25' ' ' ILE . 71.9 p -87.17 152.98 21.86 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.121 -1.223 . . . . 0.0 110.004 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.482 ' ND2' HG22 ' A' ' 24' ' ' VAL . 5.7 m120 -96.89 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.746 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.86 161.09 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.685 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -118.65 145.64 45.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.493 -0.754 . . . . 0.0 109.415 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.859 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.0 141.91 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.522 -0.736 . . . . 0.0 109.666 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.71 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.4 136.05 37.43 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.499 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.22 176.07 9.0 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.856 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.7 -22.04 44.02 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.741 -0.599 . . . . 0.0 111.552 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -100.48 25.96 7.17 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.467 -0.77 . . . . 0.0 111.284 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.77 25.91 14.07 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.282 -0.886 . . . . 0.0 110.941 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.4 p -99.41 132.92 44.41 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' HD22 ' A' ' 14' ' ' LEU . 74.6 mttt -109.74 138.21 46.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.607 -0.683 . . . . 0.0 110.403 -171.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 146.78 35.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.705 -0.622 . . . . 0.0 110.1 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.5 ptm180 -137.5 149.85 47.11 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.61 -0.681 . . . . 0.0 110.467 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.75 -172.05 44.29 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.0 t -90.03 140.83 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.576 -0.955 . . . . 0.0 109.606 -178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.746 HD11 HG21 ' A' ' 11' ' ' VAL . 93.5 mt -80.48 139.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.614 -0.679 . . . . 0.0 109.967 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.687 HG21 ' HB2' ' A' ' 38' ' ' ARG . 37.4 p -125.14 -36.14 2.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.611 -0.681 . . . . 0.0 111.589 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -137.03 146.71 45.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.987 . . . . 0.0 111.08 -172.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -121.98 121.0 36.06 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.661 -0.649 . . . . 0.0 109.981 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -69.95 -32.24 70.39 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.737 -0.602 . . . . 0.0 110.7 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -62.35 -44.63 96.03 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.525 -0.735 . . . . 0.0 110.846 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 11.11 8.89 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 111.346 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.3 p 46.7 66.71 0.92 Allowed 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.546 -0.722 . . . . 0.0 111.558 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.013 HD12 HG22 ' A' ' 48' ' ' VAL . 45.2 mm -115.02 133.3 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.46 -0.775 . . . . 0.0 109.713 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.88 124.87 42.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.747 -0.596 . . . . 0.0 110.275 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -102.39 129.39 48.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.789 -0.569 . . . . 0.0 109.798 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 25' ' ' ILE . 60.1 mt -110.94 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.75 -0.594 . . . . 0.0 109.997 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.687 ' HB2' HG21 ' A' ' 26' ' ' THR . 41.9 ttm180 -96.74 125.16 41.0 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.828 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.0 tp -102.06 148.81 24.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.6 -0.687 . . . . 0.0 110.851 -174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -9.63 15.21 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.895 -0.503 . . . . 0.0 111.767 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.63 31.08 0.61 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.087 -1.008 . . . . 0.0 111.005 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.11 29.42 17.82 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.123 -0.986 . . . . 0.0 110.436 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -121.28 140.48 52.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -129.62 144.96 51.51 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.72 -0.613 . . . . 0.0 110.23 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -144.01 142.11 30.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.708 -0.62 . . . . 0.0 110.499 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -107.68 120.87 43.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.746 -0.596 . . . . 0.0 109.886 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.36 129.98 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.013 HG22 HD12 ' A' ' 34' ' ' ILE . 36.8 t -71.67 137.44 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.281 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -62.18 -24.46 67.21 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.6 -0.687 . . . . 0.0 111.423 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.6 -25.53 60.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.252 -0.905 . . . . 0.0 110.891 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.44 9.61 20.24 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.511 -0.743 . . . . 0.0 111.31 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.859 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.01 112.94 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.185 -0.947 . . . . 0.0 109.786 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -81.83 -39.01 24.62 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.157 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 m-20 -153.1 146.28 24.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.6 -0.688 . . . . 0.0 110.961 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD11 HG21 ' A' ' 52' ' ' ILE . 15.3 mt -127.17 144.2 51.09 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.834 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -149.01 159.08 44.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.649 -0.657 . . . . 0.0 110.057 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 11' ' ' VAL . 82.3 mt -111.58 129.95 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.599 -0.688 . . . . 0.0 109.282 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 N--CA 1.499 2.013 0 O-C-N 121.627 -0.67 . . . . 0.0 110.336 -173.43 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . 0 N--CA 1.496 2.684 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -87.11 156.07 19.87 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.185 -1.186 . . . . 0.0 110.158 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -96.96 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.707 -0.621 . . . . 0.0 110.129 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.27 163.23 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -118.68 146.04 45.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.541 -0.724 . . . . 0.0 109.247 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -133.57 142.71 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 109.648 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.64 136.04 37.73 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.43 169.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -82.84 176.98 8.88 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.984 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.54 -21.89 41.1 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.723 -0.611 . . . . 0.0 111.516 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -102.63 27.41 6.94 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.406 -0.809 . . . . 0.0 111.16 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.7 26.06 14.14 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.149 -0.97 . . . . 0.0 110.902 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -97.69 134.94 40.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.4 mtmm -109.7 138.34 46.22 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.436 -171.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 145.76 34.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.768 -0.583 . . . . 0.0 110.083 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.6 ptt180 -138.03 148.14 44.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.603 -0.686 . . . . 0.0 110.67 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.77 -173.65 45.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.201 -1.559 . . . . 0.0 109.201 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -91.83 139.57 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.564 -0.962 . . . . 0.0 109.766 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 89.6 mt -81.9 135.19 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.632 -0.667 . . . . 0.0 109.944 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.0 p -125.23 -36.2 2.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.616 -0.678 . . . . 0.0 111.845 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 35' ' ' LEU . 25.5 t30 -140.98 155.12 46.28 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.944 -1.098 . . . . 0.0 111.247 -171.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -149.14 140.54 23.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.915 -0.491 . . . . 0.0 109.695 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -122.08 121.39 36.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.742 -0.599 . . . . 0.0 109.81 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -73.23 -29.88 63.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.755 -0.591 . . . . 0.0 110.698 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -64.73 -43.59 92.88 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.583 -0.698 . . . . 0.0 110.787 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -124.06 6.94 8.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.515 -0.74 . . . . 0.0 111.471 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m 51.38 67.01 1.02 Allowed 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.209 -0.932 . . . . 0.0 111.07 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.036 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -120.86 131.95 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 25' ' ' ILE . 8.8 tp -118.84 129.25 55.12 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.668 -0.645 . . . . 0.0 110.163 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -96.97 129.57 44.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.713 -0.617 . . . . 0.0 109.696 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -110.87 119.98 40.87 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.821 -0.549 . . . . 0.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.1 ttt180 -95.64 123.91 39.42 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.805 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 22' ' ' ARG . 21.5 tp -102.03 151.74 21.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.718 -0.614 . . . . 0.0 110.83 -174.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.43 -5.98 12.94 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.89 -0.506 . . . . 0.0 111.92 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.81 28.14 0.92 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.119 -0.988 . . . . 0.0 110.924 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 t70 60.95 27.63 17.48 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.978 -1.076 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 m -121.15 143.99 48.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.411 -0.806 . . . . 0.0 110.171 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -126.67 144.6 50.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.721 -0.612 . . . . 0.0 110.061 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -143.98 140.66 29.75 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.693 -0.63 . . . . 0.0 110.361 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.2 p -101.21 123.2 44.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.739 -0.601 . . . . 0.0 110.031 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.25 130.92 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 109.356 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.036 HG22 HD12 ' A' ' 34' ' ' ILE . 26.8 t -73.31 138.42 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.646 -0.659 . . . . 0.0 109.403 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 p -73.96 -24.85 59.68 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.613 -0.679 . . . . 0.0 111.357 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -61.15 -25.12 66.78 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.21 -0.931 . . . . 0.0 110.833 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.51 11.39 17.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.384 -0.823 . . . . 0.0 111.268 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.8 mt -72.39 112.94 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 173.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -80.56 -39.77 27.08 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.169 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 m-20 -153.12 145.83 24.31 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.907 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -126.97 144.26 51.06 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.709 -0.619 . . . . 0.0 110.983 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -149.08 159.06 44.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.77 -0.581 . . . . 0.0 110.022 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 11' ' ' VAL . 79.9 mt -110.3 129.99 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.595 -0.691 . . . . 0.0 109.339 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 22' ' ' ARG . 45.3 mt . . . . . 0 N--CA 1.499 1.999 0 O-C-N 121.659 -0.651 . . . . 0.0 110.164 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.528 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -87.31 144.15 26.92 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.196 -1.179 . . . . 0.0 110.089 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -91.62 114.79 27.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.93 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 57' ' ' ILE . 27.2 m -131.2 161.31 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.65 146.12 44.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.59 -0.694 . . . . 0.0 109.56 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.873 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -132.91 143.45 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 109.74 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.744 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.83 136.14 37.8 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.294 168.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.36 178.42 8.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.989 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -57.35 -22.43 42.34 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.776 -0.577 . . . . 0.0 111.563 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -100.27 24.66 8.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.522 -0.736 . . . . 0.0 111.196 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.86 25.8 12.48 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.29 -0.882 . . . . 0.0 110.683 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -96.19 133.06 40.96 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.744 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.3 mtmm -109.68 135.88 49.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.545 -0.722 . . . . 0.0 110.477 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.07 151.95 42.86 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.854 -0.529 . . . . 0.0 109.944 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -136.08 158.38 44.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.468 -0.77 . . . . 0.0 110.165 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.43 48.44 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.96 127.84 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.705 -0.88 . . . . 0.0 109.487 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 35' ' ' LEU . 82.1 mt -66.22 137.31 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.684 -0.635 . . . . 0.0 110.256 -175.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.9 p -125.07 -35.97 2.59 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.776 -0.578 . . . . 0.0 111.433 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -139.75 151.32 45.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -149.14 135.44 19.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.932 -0.48 . . . . 0.0 109.734 174.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -122.03 118.84 29.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.789 -0.57 . . . . 0.0 110.034 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -67.68 -30.18 69.65 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.796 -0.565 . . . . 0.0 110.719 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.9 m -61.13 -49.87 75.5 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.541 -0.724 . . . . 0.0 110.83 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.502 ' OD1' HD11 ' A' ' 34' ' ' ILE . 6.2 t-20 -124.06 15.82 9.21 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.553 -0.717 . . . . 0.0 111.258 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 p 46.65 67.0 0.84 Allowed 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.653 -0.655 . . . . 0.0 111.663 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.007 HD12 HG22 ' A' ' 48' ' ' VAL . 44.3 mm -115.01 130.27 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 109.597 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 25' ' ' ILE . 9.7 tp -121.74 125.64 47.05 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.804 -0.56 . . . . 0.0 110.337 -174.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -96.98 127.37 42.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.799 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' ILE . 55.4 mt -110.94 119.97 40.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.785 -0.572 . . . . 0.0 109.935 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.1 ttt-85 -101.3 120.67 40.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.682 -0.636 . . . . 0.0 109.94 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD13 ' HA2' ' A' ' 23' ' ' GLY . 62.1 tp -102.07 154.58 18.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.73 -0.606 . . . . 0.0 110.568 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.65 -0.31 6.67 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.867 -0.521 . . . . 0.0 112.148 -171.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -88.05 26.64 1.33 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.975 -1.078 . . . . 0.0 110.741 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.52 27.79 17.22 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.091 -1.006 . . . . 0.0 110.465 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -121.94 140.1 52.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.474 -0.766 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.2 144.66 51.29 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.777 -0.577 . . . . 0.0 110.034 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 47' ' ' ILE . 54.1 tttm -143.84 136.44 27.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 0.0 110.399 -177.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.8 p -96.74 120.55 37.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.892 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.427 HD11 ' HD3' ' A' ' 45' ' ' LYS . 82.1 mt -127.88 129.93 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.461 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.007 HG22 HD12 ' A' ' 34' ' ' ILE . 30.2 t -72.3 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.649 -0.657 . . . . 0.0 109.243 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 70.6 p -65.35 -24.64 67.3 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.552 -0.718 . . . . 0.0 111.294 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -58.58 -26.11 63.27 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.235 -0.916 . . . . 0.0 110.89 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -88.5 12.32 14.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.769 . . . . 0.0 111.307 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.873 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.2 mt -77.86 112.89 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.149 -0.969 . . . . 0.0 109.68 172.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -84.99 -35.56 21.89 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.525 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.9 m-20 -152.48 146.72 25.5 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.933 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 52' ' ' ILE . 15.1 mt -128.42 144.25 51.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.863 -177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -147.42 159.05 44.15 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.76 -0.588 . . . . 0.0 109.888 171.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.521 HG12 HG12 ' A' ' 11' ' ' VAL . 72.1 mt -113.18 129.99 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.601 -0.687 . . . . 0.0 109.32 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 110.025 -175.567 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.501 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -87.12 144.72 26.74 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.211 -1.17 . . . . 0.0 110.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.02 114.92 27.19 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 25' ' ' ILE . 32.4 m -131.09 162.62 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.864 -0.523 . . . . 0.0 109.673 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.5 141.6 48.4 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.679 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.831 ' CG2' HG23 ' A' ' 52' ' ' ILE . 7.5 p -129.63 133.67 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.707 -0.621 . . . . 0.0 109.518 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -89.74 136.01 33.29 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.673 174.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.16 176.14 8.98 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.04 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -58.05 -22.2 49.01 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.731 -0.606 . . . . 0.0 111.52 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.99 25.58 7.24 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -0.772 . . . . 0.0 111.277 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.88 25.84 14.14 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.197 -0.939 . . . . 0.0 110.9 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -100.11 132.91 45.19 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 168.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.699 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.96 139.78 44.68 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.364 -171.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.95 144.7 33.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.748 -0.595 . . . . 0.0 110.042 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 39' ' ' LEU . 15.4 ptp180 -131.62 150.29 52.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.583 -0.698 . . . . 0.0 110.273 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.87 -171.93 44.12 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.17 130.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.675 -0.897 . . . . 0.0 109.705 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 11' ' ' VAL . 85.4 mt -73.01 140.37 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.538 -0.727 . . . . 0.0 110.014 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.721 HG21 ' HG3' ' A' ' 38' ' ' ARG . 37.0 p -125.18 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.652 -0.655 . . . . 0.0 111.549 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.28 147.42 45.66 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.137 -0.977 . . . . 0.0 111.074 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -149.1 127.68 12.38 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.13 127.01 49.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.65 -0.656 . . . . 0.0 109.879 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -75.16 -32.24 61.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.791 -0.568 . . . . 0.0 110.748 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -37.39 87.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.527 -0.733 . . . . 0.0 110.755 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -124.09 -0.0 8.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.645 -0.659 . . . . 0.0 111.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m 50.92 66.88 1.04 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.165 -0.959 . . . . 0.0 110.877 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.8 mm -120.37 137.47 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.623 -0.673 . . . . 0.0 109.775 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 25' ' ' ILE . 10.5 tp -124.35 125.77 44.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.68 -0.637 . . . . 0.0 110.273 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -101.57 128.85 47.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.788 -0.57 . . . . 0.0 109.892 174.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.98 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.914 -0.491 . . . . 0.0 110.06 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.721 ' HG3' HG21 ' A' ' 26' ' ' THR . 58.0 mtt-85 -96.35 125.42 40.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.604 -0.685 . . . . 0.0 109.92 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.7 tp -102.11 148.35 25.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.724 -0.61 . . . . 0.0 110.792 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -9.81 16.45 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.807 -0.558 . . . . 0.0 111.881 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.21 30.68 0.67 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.152 -0.967 . . . . 0.0 111.014 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 60.47 27.44 17.07 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.961 -1.087 . . . . 0.0 110.511 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -120.08 142.3 49.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.431 -0.793 . . . . 0.0 110.15 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.92 144.47 51.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.668 -0.645 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 47' ' ' ILE . 40.9 tttp -144.03 132.54 22.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.709 -0.62 . . . . 0.0 110.247 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.6 p -102.1 120.98 41.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.675 -0.64 . . . . 0.0 109.93 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HD3' ' A' ' 45' ' ' LYS . 80.0 mt -129.18 136.9 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 109.333 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 38.0 t -77.91 136.09 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.446 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -63.61 -24.49 67.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.596 -0.69 . . . . 0.0 111.357 -172.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -58.19 -25.0 61.04 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.806 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.72 10.01 19.69 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.486 -0.759 . . . . 0.0 111.401 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.831 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.7 mt -75.45 112.99 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.181 -0.949 . . . . 0.0 109.776 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -80.94 -40.29 24.76 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.114 171.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -152.62 143.43 22.89 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.869 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -122.06 144.19 49.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.771 -0.58 . . . . 0.0 110.679 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.441 HH21 HD21 ' A' ' 58' ' ' LEU . 13.7 ptt180 -146.77 154.65 41.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 169.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.479 HG12 HG12 ' A' ' 11' ' ' VAL . 69.0 mt -115.08 130.06 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.61 -0.681 . . . . 0.0 109.599 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD21 HH21 ' A' ' 56' ' ' ARG . 47.2 mt . . . . . 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.884 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.59 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.08 142.23 28.08 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.202 -1.175 . . . . 0.0 110.078 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.52 114.93 27.41 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.617 -0.677 . . . . 0.0 109.961 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 25' ' ' ILE . 28.5 m -129.16 161.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.847 -0.533 . . . . 0.0 109.627 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -118.67 146.08 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 109.471 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.851 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -134.63 142.78 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.645 -0.659 . . . . 0.0 109.935 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.91 136.06 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.395 168.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 51' ' ' ASP . 85.8 mt -87.26 173.71 9.03 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.938 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -59.12 -14.93 11.68 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.846 -0.534 . . . . 0.0 111.907 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -95.92 22.76 7.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.275 -0.89 . . . . 0.0 111.023 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.87 25.98 12.72 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.323 -0.861 . . . . 0.0 110.748 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -103.34 145.88 29.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.538 -0.726 . . . . 0.0 109.304 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 14' ' ' LEU . 24.9 pttt -109.95 142.22 41.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.489 -0.757 . . . . 0.0 110.823 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.59 39.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.769 -0.582 . . . . 0.0 109.838 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.568 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.8 ptt85 -136.95 144.61 43.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.536 -0.728 . . . . 0.0 110.709 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -174.39 46.53 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -89.66 142.55 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.643 -0.916 . . . . 0.0 109.695 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 11' ' ' VAL . 81.8 mt -83.1 139.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.654 -0.654 . . . . 0.0 109.967 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' ' 38' ' ' ARG . 38.8 p -125.07 -36.07 2.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.641 -0.662 . . . . 0.0 111.516 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -136.49 145.94 45.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.136 -0.977 . . . . 0.0 111.041 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -149.08 128.52 13.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.791 -0.568 . . . . 0.0 109.612 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -122.1 120.03 33.07 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.65 -0.656 . . . . 0.0 109.868 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -67.93 -30.87 70.29 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.836 -0.54 . . . . 0.0 110.815 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -61.08 -53.41 57.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.469 -0.769 . . . . 0.0 110.851 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -114.24 6.23 16.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.684 -0.635 . . . . 0.0 111.396 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m 51.55 67.06 1.02 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.233 -0.917 . . . . 0.0 110.905 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -114.8 134.93 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.533 -0.729 . . . . 0.0 109.696 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -126.38 124.82 41.07 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.718 -0.614 . . . . 0.0 110.369 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -102.17 129.57 48.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.782 -0.574 . . . . 0.0 109.779 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.95 121.71 46.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.844 -0.535 . . . . 0.0 110.009 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.682 ' HB2' HG21 ' A' ' 26' ' ' THR . 29.3 ttm180 -97.51 123.85 41.53 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.724 -0.61 . . . . 0.0 109.783 176.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.9 tp -102.14 149.93 23.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.665 -0.647 . . . . 0.0 110.781 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -9.51 13.97 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.934 -0.479 . . . . 0.0 111.798 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.59 31.0 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.036 -1.04 . . . . 0.0 110.997 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.95 29.27 17.39 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.021 -1.05 . . . . 0.0 110.379 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -121.73 141.7 50.92 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.539 -0.726 . . . . 0.0 110.097 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -128.27 144.06 51.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.682 -0.636 . . . . 0.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.54 142.04 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.655 -0.653 . . . . 0.0 110.614 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -108.83 119.19 38.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.811 -0.556 . . . . 0.0 109.952 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -130.08 131.54 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 109.484 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 34' ' ' ILE . 39.5 t -72.14 137.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -62.32 -24.42 67.31 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.593 -0.692 . . . . 0.0 111.404 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -57.13 -25.0 58.12 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.311 -0.868 . . . . 0.0 110.845 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 15' ' ' LEU . 4.6 p30 -87.58 9.81 19.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.508 -0.745 . . . . 0.0 111.377 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.851 HG23 ' CG2' ' A' ' 13' ' ' VAL . 89.7 mt -78.77 113.0 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.94 -40.08 28.87 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.987 171.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.77 148.72 26.66 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.603 -0.685 . . . . 0.0 110.933 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 52' ' ' ILE . 15.2 mt -127.08 144.17 51.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.705 -0.622 . . . . 0.0 111.023 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -146.96 159.04 44.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.666 -0.646 . . . . 0.0 109.946 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.529 HG12 HG12 ' A' ' 11' ' ' VAL . 75.9 mt -113.95 130.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.568 -0.708 . . . . 0.0 109.212 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 N--CA 1.497 1.923 0 O-C-N 121.602 -0.686 . . . . 0.0 110.065 -174.947 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.27 146.41 25.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.157 -1.202 . . . . 0.0 110.044 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.519 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.7 m120 -91.87 114.85 27.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.585 -0.697 . . . . 0.0 109.916 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.598 HG12 HG12 ' A' ' 57' ' ' ILE . 31.3 m -130.51 158.75 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -118.65 144.21 46.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.556 -0.715 . . . . 0.0 109.188 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.8 p -132.87 141.02 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.618 -0.676 . . . . 0.0 109.714 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.703 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.36 136.06 36.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.036 -1.065 . . . . 0.0 109.479 170.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.62 176.06 8.84 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.94 -21.22 42.92 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -102.28 31.28 4.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.0 110.686 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 52.84 27.03 5.01 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.751 -0.593 . . . . 0.0 111.201 167.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -102.65 132.9 48.45 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.703 ' HG2' HD22 ' A' ' 14' ' ' LEU . 44.0 mttt -109.8 137.23 47.89 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.394 -168.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 152.84 43.71 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.81 -0.556 . . . . 0.0 110.092 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.42 160.18 39.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.561 -0.712 . . . . 0.0 110.067 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.64 -173.53 45.85 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.5 t -94.57 129.43 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.597 -0.943 . . . . 0.0 109.39 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 HG21 ' A' ' 11' ' ' VAL . 82.9 mt -67.21 137.6 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.653 -0.654 . . . . 0.0 110.058 -177.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.706 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.1 p -125.1 -36.13 2.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.764 -0.585 . . . . 0.0 111.463 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -138.26 147.8 44.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -149.11 130.86 15.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.813 -0.555 . . . . 0.0 109.671 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.02 122.16 38.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.697 -0.627 . . . . 0.0 110.029 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.86 -26.06 63.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 110.82 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -49.06 78.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.412 -0.805 . . . . 0.0 110.777 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 9.99 8.78 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.599 -0.688 . . . . 0.0 111.267 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 51.14 67.03 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.249 -0.907 . . . . 0.0 110.992 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.071 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.73 131.83 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.555 -0.716 . . . . 0.0 109.713 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 tp -122.96 124.6 43.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.722 -0.611 . . . . 0.0 110.307 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -99.19 128.79 45.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.805 -0.559 . . . . 0.0 109.773 173.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.94 120.57 42.82 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.79 -0.569 . . . . 0.0 109.934 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.706 ' HB2' HG21 ' A' ' 26' ' ' THR . 69.2 ttp85 -103.17 121.42 42.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.705 -0.622 . . . . 0.0 109.946 178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD13 ' HA2' ' A' ' 23' ' ' GLY . 60.4 tp -102.05 153.82 19.55 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.68 -174.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.36 -6.52 10.31 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.955 -0.465 . . . . 0.0 112.054 -171.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -86.4 30.66 0.69 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.018 -1.051 . . . . 0.0 110.87 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.92 29.04 17.0 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.154 -0.966 . . . . 0.0 110.444 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -122.49 138.02 54.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.502 -0.749 . . . . 0.0 110.012 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -130.1 144.63 51.45 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.683 -0.636 . . . . 0.0 110.154 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -140.76 142.07 34.78 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.631 -0.668 . . . . 0.0 110.603 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -103.43 119.46 38.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.796 -0.565 . . . . 0.0 109.916 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.91 129.74 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.449 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.071 HG22 HD12 ' A' ' 34' ' ' ILE . 38.5 t -71.7 136.66 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.3 p -62.07 -24.58 67.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.629 -0.669 . . . . 0.0 111.323 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.12 -25.69 64.07 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.323 -0.861 . . . . 0.0 110.833 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.17 10.85 17.99 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 111.26 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.3 mt -76.71 112.9 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.149 -0.97 . . . . 0.0 109.818 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -81.46 -39.14 25.29 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.044 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.1 m-20 -153.6 146.06 24.05 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.598 -0.689 . . . . 0.0 110.853 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 52' ' ' ILE . 14.1 mt -126.05 144.26 50.79 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.761 -0.587 . . . . 0.0 110.871 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -148.37 159.01 44.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.66 -0.65 . . . . 0.0 110.141 172.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.598 HG12 HG12 ' A' ' 11' ' ' VAL . 80.4 mt -114.79 129.94 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.598 -0.689 . . . . 0.0 109.261 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.5 2.04 0 O-C-N 121.576 -0.703 . . . . 0.0 110.185 -174.67 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.625 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 p -87.18 149.5 24.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.116 -1.226 . . . . 0.0 110.143 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -95.72 114.9 26.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.561 -0.712 . . . . 0.0 109.903 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 28.6 m -130.23 162.95 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.736 -0.602 . . . . 0.0 109.623 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 58' ' ' LEU . 47.1 tt0 -118.73 146.08 45.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.609 -0.682 . . . . 0.0 109.255 173.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.856 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.1 p -134.74 141.32 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.554 -0.716 . . . . 0.0 109.776 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -95.25 136.01 36.13 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.591 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 176.66 8.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.067 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.63 -22.07 43.34 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.686 -0.634 . . . . 0.0 111.535 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -98.77 24.45 7.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.107 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.73 25.95 12.46 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -96.25 133.0 41.13 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 170.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HG2' HD22 ' A' ' 14' ' ' LEU . 38.8 mttt -109.77 137.03 48.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.537 -0.727 . . . . 0.0 110.374 -170.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.45 36.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.833 -0.542 . . . . 0.0 109.997 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.549 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.7 ptt85 -138.58 150.97 46.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.626 -0.671 . . . . 0.0 110.636 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -172.82 45.13 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.15 136.07 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.635 -0.92 . . . . 0.0 109.618 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 91.3 mt -77.13 138.6 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.604 -0.685 . . . . 0.0 110.044 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.1 p -125.11 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.687 -0.633 . . . . 0.0 111.563 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -137.88 149.03 45.92 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.104 -0.997 . . . . 0.0 111.136 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -149.16 132.16 16.22 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.03 119.35 31.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.706 -0.621 . . . . 0.0 110.039 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -68.82 -26.44 65.17 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.75 -0.593 . . . . 0.0 110.756 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 t -61.23 -51.75 67.68 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.42 -0.8 . . . . 0.0 110.79 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -124.0 16.47 9.27 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.568 -0.708 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 p 46.93 67.0 0.86 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.639 -0.663 . . . . 0.0 111.547 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -113.94 132.06 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.476 -0.765 . . . . 0.0 109.684 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HG23 ' A' ' 25' ' ' ILE . 10.6 tp -122.76 125.3 45.22 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.215 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.93 129.12 45.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.741 -0.599 . . . . 0.0 109.792 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 25' ' ' ILE . 58.8 mt -110.94 120.01 40.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.781 -0.574 . . . . 0.0 109.941 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.699 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.0 ttt85 -96.4 124.06 40.26 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.753 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.7 tp -102.11 149.57 24.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.68 -0.638 . . . . 0.0 110.786 -173.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -9.57 14.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.95 -0.469 . . . . 0.0 111.871 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.79 30.94 0.62 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.072 -1.017 . . . . 0.0 110.985 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.01 29.37 17.61 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.042 -1.036 . . . . 0.0 110.413 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -121.32 141.46 50.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.458 -0.776 . . . . 0.0 110.106 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -127.85 144.41 51.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.712 -0.617 . . . . 0.0 110.207 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -143.96 142.05 30.52 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.639 -0.663 . . . . 0.0 110.572 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.5 p -106.83 121.07 43.67 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.802 -0.561 . . . . 0.0 109.955 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.12 130.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.635 -0.665 . . . . 0.0 109.428 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.022 HG22 HD12 ' A' ' 34' ' ' ILE . 34.9 t -72.72 136.63 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.26 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 69.5 p -64.57 -24.55 67.63 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.594 -0.691 . . . . 0.0 111.494 -172.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -57.75 -25.06 59.91 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.0 110.955 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.4 9.6 20.13 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.321 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.856 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.9 mt -77.13 112.91 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.14 -0.975 . . . . 0.0 109.839 174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -81.21 -40.29 24.08 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.087 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 64.7 m-20 -152.18 143.9 23.6 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.863 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 52' ' ' ILE . 14.2 mt -123.86 144.2 49.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.73 -0.606 . . . . 0.0 110.827 -177.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -147.82 158.99 44.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 110.082 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.483 HG12 HG12 ' A' ' 11' ' ' VAL . 78.8 mt -112.4 130.04 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.655 -0.653 . . . . 0.0 109.294 175.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 12' ' ' GLU . 43.6 mt . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.662 -0.649 . . . . 0.0 110.078 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 25' ' ' ILE . 86.4 p -87.3 141.34 28.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.187 -1.184 . . . . 0.0 110.298 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -87.01 114.91 24.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.6 -0.687 . . . . 0.0 109.774 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -130.36 162.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -118.6 143.44 46.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.8 p -131.5 142.4 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.566 -0.709 . . . . 0.0 110.011 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -97.52 136.08 38.44 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.566 169.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.53 177.0 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.044 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.9 -22.04 46.43 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.784 -0.572 . . . . 0.0 111.535 -176.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -100.75 26.48 6.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.762 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.93 25.9 14.29 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.303 -0.873 . . . . 0.0 110.946 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -100.31 137.63 38.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.708 ' HG2' HD22 ' A' ' 14' ' ' LEU . 41.5 mttt -109.63 142.75 40.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.511 -0.743 . . . . 0.0 110.417 -172.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.08 148.57 40.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.794 -0.567 . . . . 0.0 110.134 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -124.86 153.12 43.07 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.623 -0.673 . . . . 0.0 109.576 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.462 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.71 171.38 41.91 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.016 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.92 125.92 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.845 -0.797 . . . . 0.0 109.32 177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 11' ' ' VAL . 89.0 mt -65.78 137.34 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.744 -0.597 . . . . 0.0 110.278 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.68 HG21 ' CG ' ' A' ' 38' ' ' ARG . 41.3 p -125.11 -36.21 2.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.844 -0.535 . . . . 0.0 111.311 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -136.97 147.89 46.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.207 -0.933 . . . . 0.0 111.049 -173.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.818 -0.551 . . . . 0.0 109.621 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.03 122.73 39.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.652 -0.655 . . . . 0.0 110.065 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.79 -25.42 62.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.832 -0.543 . . . . 0.0 110.825 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -61.14 -48.52 81.23 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.43 -0.794 . . . . 0.0 110.802 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.1 9.36 8.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.648 -0.657 . . . . 0.0 111.27 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 50.76 66.96 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.203 -0.936 . . . . 0.0 111.028 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.4 mm -114.75 132.87 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.571 -0.706 . . . . 0.0 109.719 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 HG23 ' A' ' 25' ' ' ILE . 11.2 tp -123.1 125.08 44.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.651 -0.656 . . . . 0.0 110.314 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.37 127.52 46.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.82 -0.55 . . . . 0.0 109.917 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -110.8 120.01 41.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.526 . . . . 0.0 109.864 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.68 ' CG ' HG21 ' A' ' 26' ' ' THR . 32.8 mtp85 -99.83 120.86 40.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.661 -0.649 . . . . 0.0 109.819 176.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD13 ' HA2' ' A' ' 23' ' ' GLY . 57.5 tp -102.13 151.06 22.62 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.625 -0.672 . . . . 0.0 110.629 -172.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 -7.4 11.78 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.854 -0.529 . . . . 0.0 112.128 -170.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -86.76 30.94 0.7 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.086 -1.009 . . . . 0.0 110.846 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.08 29.09 17.29 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.075 -1.016 . . . . 0.0 110.339 177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 m -120.34 139.65 52.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.539 -0.726 . . . . 0.0 110.065 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -127.56 142.36 51.39 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.725 -0.61 . . . . 0.0 110.135 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' HD11 ' A' ' 47' ' ' ILE . 79.5 tttt -143.98 132.92 22.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 110.43 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -98.25 121.95 40.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 0.0 109.938 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.7 mt -129.08 131.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.701 -0.624 . . . . 0.0 109.49 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.56 135.79 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 p -62.42 -24.67 67.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.614 -0.679 . . . . 0.0 111.406 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -58.26 -26.12 62.55 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.956 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 9.52 19.57 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.33 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.861 HG23 ' CG2' ' A' ' 13' ' ' VAL . 85.5 mt -77.94 112.98 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.168 -0.958 . . . . 0.0 109.75 174.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -82.25 -39.49 22.94 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.051 171.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.9 m-20 -151.95 145.31 24.76 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.848 -173.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 52' ' ' ILE . 14.3 mt -127.2 144.2 51.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.795 -0.565 . . . . 0.0 110.68 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -146.94 158.34 43.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.652 -0.655 . . . . 0.0 109.86 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 11' ' ' VAL . 75.7 mt -114.77 130.1 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.631 -0.668 . . . . 0.0 109.324 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.497 1.903 0 O-C-N 121.595 -0.691 . . . . 0.0 110.025 -174.06 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.551 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.461 ' OG ' HD12 ' A' ' 25' ' ' ILE . 69.5 p -87.18 149.59 24.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.102 -1.234 . . . . 0.0 110.008 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.2 m120 -95.7 114.8 26.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.602 -0.686 . . . . 0.0 109.916 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 26.8 m -130.67 159.59 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.81 -0.556 . . . . 0.0 109.651 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -118.69 146.08 44.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.516 -0.74 . . . . 0.0 109.424 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.6 p -133.48 142.51 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.69 -0.631 . . . . 0.0 109.853 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.11 136.1 33.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.198 168.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.63 174.7 8.71 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.823 175.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.22 -20.76 29.12 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.716 -0.615 . . . . 0.0 111.589 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -94.57 23.28 5.43 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.393 -0.817 . . . . 0.0 110.984 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.31 26.16 13.64 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.341 -0.85 . . . . 0.0 110.739 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -100.66 144.05 30.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.495 -0.753 . . . . 0.0 109.179 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 14' ' ' LEU . 9.9 ptpp? -109.83 143.69 39.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.6 -0.688 . . . . 0.0 110.922 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.4 143.12 33.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.82 -0.55 . . . . 0.0 109.976 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.2 ptt85 -137.05 144.81 43.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.565 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -171.96 44.18 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.5 t -93.07 134.7 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 92.8 mt -75.07 139.54 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.611 -0.681 . . . . 0.0 110.031 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.711 HG21 ' HB2' ' A' ' 38' ' ' ARG . 33.8 p -125.16 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.616 -0.678 . . . . 0.0 111.522 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -137.45 147.63 45.49 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.206 -0.933 . . . . 0.0 111.073 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -149.1 129.84 14.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.862 -0.524 . . . . 0.0 109.608 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -122.05 122.3 38.96 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.632 -0.667 . . . . 0.0 109.998 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.78 -25.7 63.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.843 -0.536 . . . . 0.0 110.923 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -60.99 -49.42 77.5 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.762 . . . . 0.0 110.844 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.02 10.11 8.78 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.509 -0.744 . . . . 0.0 111.263 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m 51.15 67.02 1.01 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.239 -0.913 . . . . 0.0 110.989 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.065 HD12 HG22 ' A' ' 48' ' ' VAL . 44.5 mm -114.88 133.83 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.512 -0.743 . . . . 0.0 109.716 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -124.51 125.69 44.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.697 -0.627 . . . . 0.0 110.324 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -101.68 129.75 47.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.813 -0.554 . . . . 0.0 109.83 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.87 119.96 40.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.868 -0.52 . . . . 0.0 110.002 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HB2' HG21 ' A' ' 26' ' ' THR . 59.8 ttp180 -97.04 124.2 40.97 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.719 -0.613 . . . . 0.0 109.768 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.5 tp -102.03 145.74 28.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.733 -0.604 . . . . 0.0 110.841 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -10.31 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.92 -0.487 . . . . 0.0 111.78 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -86.26 30.89 0.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.143 -0.973 . . . . 0.0 111.044 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t70 61.09 27.56 17.37 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.0 m -119.7 140.09 51.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.398 -0.813 . . . . 0.0 110.036 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.24 144.05 51.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.632 -0.668 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -143.98 142.09 30.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.671 -0.643 . . . . 0.0 110.557 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -110.31 119.37 39.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.821 -0.549 . . . . 0.0 109.801 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.53 132.07 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.624 -0.672 . . . . 0.0 109.534 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.065 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.43 137.26 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.632 -0.668 . . . . 0.0 109.276 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.7 p -63.09 -24.64 68.0 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.576 -0.703 . . . . 0.0 111.376 -172.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -58.48 -25.11 61.95 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.324 -0.86 . . . . 0.0 110.866 -175.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.73 11.9 16.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.447 -0.783 . . . . 0.0 111.282 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 95.0 mt -77.73 112.91 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.23 -0.919 . . . . 0.0 109.705 172.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -80.6 -39.0 28.3 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.085 171.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.5 m-20 -153.65 150.92 29.1 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.787 -175.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -130.05 144.26 51.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.629 -0.669 . . . . 0.0 110.868 -176.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -148.21 159.05 44.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.689 -0.632 . . . . 0.0 109.968 172.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG12 HG12 ' A' ' 11' ' ' VAL . 81.1 mt -113.08 130.03 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.637 -0.664 . . . . 0.0 109.31 175.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.499 1.997 0 O-C-N 121.598 -0.689 . . . . 0.0 110.2 -175.275 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -87.15 143.22 27.4 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.148 -1.207 . . . . 0.0 110.182 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -91.75 114.9 27.56 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.625 -0.672 . . . . 0.0 109.888 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 25' ' ' ILE . 27.2 m -130.93 162.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.735 -0.603 . . . . 0.0 109.693 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 58' ' ' LEU . 37.1 tt0 -118.65 146.07 44.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 0.0 109.439 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.0 p -133.74 143.39 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.612 -0.68 . . . . 0.0 109.702 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.749 HD22 ' CG ' ' A' ' 20' ' ' LYS . 2.5 mt -96.9 136.09 37.96 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.325 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.52 177.5 8.69 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.928 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -58.29 -21.47 49.08 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.72 -0.613 . . . . 0.0 111.53 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -103.08 27.47 7.12 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.444 -0.785 . . . . 0.0 111.11 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.66 26.01 14.02 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.29 -0.882 . . . . 0.0 110.87 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.43 133.06 42.52 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 169.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.749 ' CG ' HD22 ' A' ' 14' ' ' LEU . 1.9 mptt -109.79 137.25 47.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 0.0 110.642 -170.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.09 150.13 40.79 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 109.946 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' HD13 ' A' ' 39' ' ' LEU . 30.9 ptt180 -141.41 149.9 41.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.6 -0.687 . . . . 0.0 110.588 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -173.33 45.61 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -91.31 138.54 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.549 -0.971 . . . . 0.0 109.759 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 11' ' ' VAL . 83.8 mt -79.1 139.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.653 -0.654 . . . . 0.0 109.925 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.6 p -125.11 -36.04 2.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.706 -0.621 . . . . 0.0 111.484 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -138.16 148.77 45.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.129 -0.982 . . . . 0.0 111.121 -173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -149.11 130.71 14.92 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -122.08 123.66 42.11 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.724 -0.61 . . . . 0.0 109.922 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -74.24 -29.17 61.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.826 -0.546 . . . . 0.0 110.789 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -63.82 -42.67 97.6 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.576 -0.702 . . . . 0.0 110.716 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -123.97 4.87 8.67 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.656 -0.652 . . . . 0.0 111.441 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 m 51.48 67.06 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.323 -0.861 . . . . 0.0 110.937 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.054 HD12 HG22 ' A' ' 48' ' ' VAL . 46.6 mm -117.68 134.76 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.578 -0.701 . . . . 0.0 109.626 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.39 122.78 37.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.811 -0.556 . . . . 0.0 110.211 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -96.99 128.67 44.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.765 -0.584 . . . . 0.0 109.824 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' ILE . 94.8 mt -110.85 119.98 40.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.877 -0.515 . . . . 0.0 109.855 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.4 ttt180 -98.7 124.67 43.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.768 -0.583 . . . . 0.0 109.782 177.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 22' ' ' ARG . 26.4 tp -102.04 148.91 24.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.655 . . . . 0.0 110.87 -174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.42 -8.7 14.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.94 -0.475 . . . . 0.0 111.838 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -86.1 30.58 0.67 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.15 -0.969 . . . . 0.0 111.0 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 60.84 27.54 17.34 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.985 -1.072 . . . . 0.0 110.618 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -121.41 139.05 53.95 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.098 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -132.02 140.07 48.8 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 47' ' ' ILE . 38.4 ttpt -144.08 142.03 30.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.73 -0.606 . . . . 0.0 110.354 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -98.3 125.77 43.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.738 -0.601 . . . . 0.0 110.049 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.576 HD11 ' HE3' ' A' ' 45' ' ' LYS . 80.1 mt -129.15 133.45 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.64 -0.662 . . . . 0.0 109.494 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.054 HG22 HD12 ' A' ' 34' ' ' ILE . 40.6 t -77.93 137.0 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.629 -0.669 . . . . 0.0 109.276 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -64.21 -24.62 67.74 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.643 -0.66 . . . . 0.0 111.375 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -57.7 -25.23 60.01 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.211 -0.931 . . . . 0.0 111.062 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.98 9.17 20.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 111.328 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.9 112.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.161 -0.962 . . . . 0.0 109.843 174.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -85.03 -37.77 19.98 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.304 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-20 -150.13 145.75 26.5 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.926 -175.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -128.02 144.19 51.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.745 -0.597 . . . . 0.0 110.96 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -147.56 159.01 44.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.746 -0.596 . . . . 0.0 109.884 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG12 HG12 ' A' ' 11' ' ' VAL . 81.4 mt -113.48 130.06 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 109.427 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.9 mt . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.635 -0.666 . . . . 0.0 110.163 -173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.688 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -87.15 148.75 25.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -1.199 . . . . 0.0 110.021 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -93.29 114.89 27.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.549 -0.719 . . . . 0.0 109.99 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 57' ' ' ILE . 27.1 m -132.16 163.69 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -118.67 146.08 44.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.529 -0.732 . . . . 0.0 109.652 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.798 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.07 142.78 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.655 -0.653 . . . . 0.0 109.809 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.68 135.99 34.41 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.346 166.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.88 174.07 9.54 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.888 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -58.01 -21.05 43.15 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.695 -0.628 . . . . 0.0 111.545 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -96.88 25.34 5.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.493 -0.754 . . . . 0.0 111.031 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.72 26.66 15.8 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.269 -0.894 . . . . 0.0 110.979 171.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -102.11 141.59 34.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.41 -0.807 . . . . 0.0 109.299 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' HD22 ' A' ' 14' ' ' LEU . 19.5 pttp -109.93 139.07 45.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.53 -0.731 . . . . 0.0 110.863 -175.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 150.91 41.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.808 -0.557 . . . . 0.0 109.978 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 58' ' ' LEU . 33.6 ptt180 -137.75 155.93 48.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.517 -0.739 . . . . 0.0 110.49 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.67 179.56 48.51 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 176.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.97 132.08 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.74 -0.859 . . . . 0.0 109.283 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 135.32 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.631 -0.668 . . . . 0.0 110.27 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.733 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.17 -14.69 6.48 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.907 -0.496 . . . . 0.0 111.677 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -158.04 151.54 23.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.938 -1.101 . . . . 0.0 111.081 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -149.09 133.66 17.69 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -122.01 119.31 31.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.755 -0.591 . . . . 0.0 109.978 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -68.37 -31.16 70.34 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.874 -0.516 . . . . 0.0 110.71 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -61.14 -48.92 79.39 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.502 -0.749 . . . . 0.0 110.875 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -123.95 14.98 9.26 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.745 . . . . 0.0 111.264 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 p 46.95 67.16 0.83 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.571 -0.706 . . . . 0.0 111.643 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.033 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -114.14 130.99 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.482 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 37' ' ' LEU . 11.2 tp -123.7 124.29 42.41 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.686 . . . . 0.0 110.399 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.91 126.91 42.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.791 -0.568 . . . . 0.0 109.55 172.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 35' ' ' LEU . 57.8 mt -111.07 126.4 54.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.748 -0.595 . . . . 0.0 110.083 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.733 ' HB2' HG21 ' A' ' 26' ' ' THR . 56.9 ttt85 -111.85 119.59 39.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.735 -0.603 . . . . 0.0 110.048 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.43 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.4 tp -101.99 158.15 16.36 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.82 -4.27 8.8 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.984 -0.447 . . . . 0.0 112.034 -171.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.63 29.79 0.77 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.094 -1.004 . . . . 0.0 110.806 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.45 17.5 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.151 -0.968 . . . . 0.0 110.294 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -123.95 137.83 54.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.528 -0.733 . . . . 0.0 110.134 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -130.59 148.63 52.41 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.708 -0.62 . . . . 0.0 110.201 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -143.49 142.01 30.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.681 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.8 p -103.31 114.29 28.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.858 -0.526 . . . . 0.0 109.877 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.13 132.19 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.669 -0.644 . . . . 0.0 109.529 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.033 HG22 HD12 ' A' ' 34' ' ' ILE . 38.1 t -71.63 136.94 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.331 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.422 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.1 p -63.26 -24.53 67.91 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.552 -0.718 . . . . 0.0 111.355 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.64 -25.3 62.6 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.229 -0.92 . . . . 0.0 110.968 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.22 11.04 17.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.798 HG23 ' CG2' ' A' ' 13' ' ' VAL . 97.2 mt -75.16 112.99 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.205 -0.935 . . . . 0.0 109.747 173.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.05 -39.17 30.33 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.947 171.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.0 m-20 -153.2 155.95 37.62 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.645 -0.659 . . . . 0.0 110.78 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 52' ' ' ILE . 14.6 mt -135.99 144.2 45.22 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.658 -0.651 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -148.81 159.21 44.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.74 -0.6 . . . . 0.0 109.629 172.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.571 HG12 HG12 ' A' ' 11' ' ' VAL . 79.6 mt -108.42 130.02 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.517 -0.74 . . . . 0.0 109.45 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 22' ' ' ARG . 41.9 mt . . . . . 0 N--CA 1.497 1.902 0 O-C-N 121.596 -0.69 . . . . 0.0 110.159 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -87.31 144.75 26.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -1.169 . . . . 0.0 110.127 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.64 114.9 27.33 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.644 -0.66 . . . . 0.0 109.947 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 25' ' ' ILE . 26.9 m -129.81 162.36 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -118.63 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.517 -0.739 . . . . 0.0 109.491 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.864 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.5 p -133.87 143.13 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.486 -0.759 . . . . 0.0 109.757 177.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -96.3 136.09 37.25 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.416 168.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.74 176.69 8.78 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.93 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.43 -21.89 39.74 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.725 -0.61 . . . . 0.0 111.592 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -99.03 24.72 7.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.124 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.66 25.91 12.3 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.205 -0.934 . . . . 0.0 110.677 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -96.71 132.99 41.82 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 170.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.719 ' HG2' HD22 ' A' ' 14' ' ' LEU . 58.5 mttt -109.69 137.03 48.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.391 -170.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.0 148.2 38.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.771 -0.58 . . . . 0.0 110.04 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.553 ' O ' HD13 ' A' ' 39' ' ' LEU . 34.4 ptt-85 -139.64 150.37 44.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.576 -0.702 . . . . 0.0 110.665 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.83 -173.52 45.78 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.1 t -90.75 140.08 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.595 -0.944 . . . . 0.0 109.698 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 HG21 ' A' ' 11' ' ' VAL . 84.1 mt -80.45 139.48 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.653 -0.654 . . . . 0.0 109.964 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.671 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.5 p -125.1 -36.07 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.669 -0.645 . . . . 0.0 111.509 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -138.57 148.74 44.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.091 -1.006 . . . . 0.0 111.107 -173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -149.13 130.77 14.95 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -122.03 122.11 38.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.663 -0.648 . . . . 0.0 110.025 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -71.14 -26.17 62.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.784 -0.572 . . . . 0.0 110.878 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -61.68 -48.5 80.5 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.438 -0.789 . . . . 0.0 110.76 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -124.1 9.66 8.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.525 -0.734 . . . . 0.0 111.251 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m 51.15 67.07 1.0 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.193 -0.942 . . . . 0.0 111.001 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.056 HD12 HG22 ' A' ' 48' ' ' VAL . 45.8 mm -115.16 132.9 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.488 -0.757 . . . . 0.0 109.638 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -124.29 122.91 39.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -174.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -97.88 129.03 44.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 120.344 -0.543 . . . . 0.0 109.761 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.9 mt -110.96 120.01 40.98 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.856 177.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HG21 ' A' ' 26' ' ' THR . 70.8 ttt180 -96.81 125.28 41.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.81 -0.556 . . . . 0.0 109.715 176.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.5 tp -102.01 152.17 21.28 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.852 -174.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -9.41 12.54 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.998 -0.439 . . . . 0.0 111.871 -173.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -85.08 30.99 0.56 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.096 -1.002 . . . . 0.0 111.081 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.12 16.98 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.028 -1.045 . . . . 0.0 110.45 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -122.98 139.25 54.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.076 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -130.28 141.36 50.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.656 -0.652 . . . . 0.0 110.179 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -144.04 142.06 30.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.673 -0.642 . . . . 0.0 110.334 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -97.59 126.47 42.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.69 -0.631 . . . . 0.0 110.237 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.0 mt -128.93 133.01 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.659 -0.651 . . . . 0.0 109.395 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.056 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -77.06 136.99 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.647 -0.658 . . . . 0.0 109.264 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -64.41 -24.56 67.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.615 -0.678 . . . . 0.0 111.363 -172.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -58.4 -25.05 61.67 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.262 -0.899 . . . . 0.0 110.891 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.36 9.2 21.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.477 -0.764 . . . . 0.0 111.303 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.864 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.3 mt -77.35 112.97 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.221 -0.924 . . . . 0.0 109.807 174.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -81.75 -39.63 23.88 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.109 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.9 m-20 -152.52 145.87 24.79 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.84 -173.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD11 HG21 ' A' ' 52' ' ' ILE . 16.6 mt -126.83 144.2 51.04 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.785 -0.572 . . . . 0.0 110.913 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -148.0 159.06 44.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.746 -0.596 . . . . 0.0 109.82 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 HG12 ' A' ' 11' ' ' VAL . 76.9 mt -113.35 130.02 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.581 -0.699 . . . . 0.0 109.498 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.498 1.928 0 O-C-N 121.631 -0.668 . . . . 0.0 110.005 -176.116 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.618 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' ' 25' ' ' ILE . 74.7 p -87.16 151.96 22.74 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.206 -1.173 . . . . 0.0 110.046 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.0 m120 -96.21 114.92 26.65 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.643 -0.661 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 27.3 m -129.56 159.46 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.8 -0.562 . . . . 0.0 109.748 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -118.69 146.01 45.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.607 -0.683 . . . . 0.0 109.649 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.702 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -132.93 142.93 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.869 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.67 136.07 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.276 166.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.19 174.54 8.55 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.914 175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.87 -20.73 24.59 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 121.626 -0.671 . . . . 0.0 111.594 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -93.94 22.92 5.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.375 -0.828 . . . . 0.0 111.062 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.27 25.9 13.25 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.301 -0.874 . . . . 0.0 110.787 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -101.43 145.11 29.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.583 -0.698 . . . . 0.0 109.184 170.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.4 ptpt -109.88 144.15 38.77 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.615 -0.678 . . . . 0.0 110.906 -173.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.91 142.71 34.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.775 -0.578 . . . . 0.0 109.967 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.3 ptt85 -137.15 144.35 42.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.552 -0.718 . . . . 0.0 110.556 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.8 -172.02 44.24 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.3 t -92.26 138.21 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.528 -0.983 . . . . 0.0 109.574 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 91.0 mt -78.35 139.07 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.538 -0.726 . . . . 0.0 109.967 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 38' ' ' ARG . 34.3 p -125.13 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.667 -0.646 . . . . 0.0 111.575 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -136.97 148.05 46.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.092 -1.005 . . . . 0.0 111.099 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -149.16 130.51 14.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -122.08 122.0 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 110.104 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.79 -25.95 63.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.815 -0.553 . . . . 0.0 110.872 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.52 -49.31 77.23 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.423 -0.798 . . . . 0.0 110.848 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -123.99 10.37 8.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.564 -0.71 . . . . 0.0 111.342 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 51.25 67.01 1.01 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.083 -1.011 . . . . 0.0 110.955 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.081 HD12 HG22 ' A' ' 48' ' ' VAL . 44.6 mm -114.32 133.47 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.582 -0.699 . . . . 0.0 109.671 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.56 125.49 44.27 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.646 -0.659 . . . . 0.0 110.227 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.71 129.86 47.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.796 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.9 120.02 41.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.884 -0.51 . . . . 0.0 110.004 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.701 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.5 ttt180 -95.88 124.08 39.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.9 tp -102.19 148.1 25.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 0.0 110.784 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -7.56 15.03 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.905 -0.497 . . . . 0.0 111.953 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.85 29.35 0.81 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.037 -1.039 . . . . 0.0 110.982 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.41 27.78 17.31 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.05 -1.031 . . . . 0.0 110.516 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -120.45 141.86 49.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.466 -0.771 . . . . 0.0 110.112 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -128.91 145.49 51.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.681 -0.637 . . . . 0.0 110.241 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -143.99 142.07 30.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.68 -0.638 . . . . 0.0 110.577 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.4 p -110.02 118.8 37.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.787 -0.571 . . . . 0.0 109.855 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -129.02 130.96 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.586 -0.696 . . . . 0.0 109.493 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.35 136.35 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.458 ' HB ' HD12 ' A' ' 52' ' ' ILE . 64.8 p -62.57 -24.68 67.67 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.604 -0.685 . . . . 0.0 111.331 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -57.59 -25.02 59.42 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 110.934 -175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -86.99 8.42 23.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.413 -0.805 . . . . 0.0 111.31 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.702 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.9 113.01 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.137 -0.977 . . . . 0.0 109.783 175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -80.22 -39.67 28.64 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.843 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.4 155.92 37.28 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.666 -176.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 52' ' ' ILE . 14.9 mt -134.58 144.12 47.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.607 -0.683 . . . . 0.0 110.936 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -147.1 158.16 43.85 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.755 -0.59 . . . . 0.0 109.749 171.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.523 HG12 HG12 ' A' ' 11' ' ' VAL . 78.9 mt -114.99 129.97 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.636 -0.665 . . . . 0.0 109.433 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt . . . . . 0 N--CA 1.499 2.02 0 O-C-N 121.673 -0.642 . . . . 0.0 110.022 -175.678 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.647 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -87.18 151.39 23.22 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.076 -1.249 . . . . 0.0 110.095 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -95.56 114.82 26.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.588 -0.695 . . . . 0.0 110.014 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 57' ' ' ILE . 27.0 m -132.68 164.37 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.865 -0.522 . . . . 0.0 109.654 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.9 tt0 -118.64 146.07 44.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.543 -0.723 . . . . 0.0 109.669 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.704 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.32 141.82 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.66 136.08 33.53 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.312 166.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.45 173.18 9.81 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.809 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.76 -21.69 30.21 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.644 -0.66 . . . . 0.0 111.448 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.71 24.84 5.0 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.506 -0.746 . . . . 0.0 111.026 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 59.11 26.61 15.35 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.257 -0.902 . . . . 0.0 110.91 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -101.73 142.62 32.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.468 -0.77 . . . . 0.0 109.28 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HB3' HD22 ' A' ' 14' ' ' LEU . 21.0 pttm -109.88 138.82 45.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.541 -0.725 . . . . 0.0 110.97 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.03 149.03 39.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.781 -0.575 . . . . 0.0 109.934 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -137.03 155.17 50.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.448 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.69 -179.8 48.67 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 176.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.61 132.65 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.615 -0.933 . . . . 0.0 109.358 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.09 135.95 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.0 p -125.09 -15.46 6.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.965 -0.459 . . . . 0.0 111.602 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -157.51 152.25 25.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.957 -1.09 . . . . 0.0 110.983 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -149.16 134.92 18.78 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.081 0.467 . . . . 0.0 109.765 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.06 125.22 45.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.725 -0.61 . . . . 0.0 109.605 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.3 p -78.86 -32.87 46.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.75 -0.593 . . . . 0.0 110.781 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.3 p -68.61 -34.58 76.01 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.683 -0.636 . . . . 0.0 110.606 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.02 -0.86 8.35 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.644 -0.66 . . . . 0.0 111.47 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m 53.08 67.04 1.06 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.033 -1.042 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.044 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.78 134.32 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.586 -0.696 . . . . 0.0 109.545 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 37' ' ' LEU . 10.4 tp -126.6 124.76 40.66 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.511 -0.743 . . . . 0.0 110.369 -173.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -97.07 127.07 42.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.835 -0.541 . . . . 0.0 109.573 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 35' ' ' LEU . 55.1 mt -110.93 125.55 53.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.698 -0.626 . . . . 0.0 110.218 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.3 ttt180 -111.49 119.9 40.32 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.759 -0.588 . . . . 0.0 109.996 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA2' ' A' ' 23' ' ' GLY . 67.1 tp -101.85 157.71 16.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.657 -0.652 . . . . 0.0 110.507 -174.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.47 -2.18 8.15 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.923 -0.486 . . . . 0.0 112.145 -171.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -86.9 26.84 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.991 -1.068 . . . . 0.0 111.014 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.14 -0.975 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -123.39 138.19 54.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.379 -0.826 . . . . 0.0 110.241 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -132.26 147.17 52.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.721 -0.612 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -144.02 142.01 30.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.627 -0.671 . . . . 0.0 110.778 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.2 p -100.52 116.33 32.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.795 -0.566 . . . . 0.0 109.963 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.59 132.64 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.662 -0.649 . . . . 0.0 109.525 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.044 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -72.6 137.34 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.638 -0.664 . . . . 0.0 109.27 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.7 p -64.0 -24.67 67.81 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.558 -0.714 . . . . 0.0 111.25 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -59.11 -25.34 63.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.23 -0.919 . . . . 0.0 110.786 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.11 12.3 16.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.478 -0.764 . . . . 0.0 111.264 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.704 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.24 112.96 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.186 -0.946 . . . . 0.0 109.664 172.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -79.37 -40.35 30.37 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.889 170.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.64 155.95 37.0 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.77 -175.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 52' ' ' ILE . 16.4 mt -134.95 144.27 47.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 110.946 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -148.51 159.05 44.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.801 -0.562 . . . . 0.0 109.646 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG12 HG12 ' A' ' 11' ' ' VAL . 71.5 mt -109.29 130.08 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 12' ' ' GLU . 41.6 mt . . . . . 0 N--CA 1.498 1.974 0 O-C-N 121.719 -0.613 . . . . 0.0 110.196 -175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.563 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.18 146.95 25.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.179 -1.189 . . . . 0.0 110.061 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.467 ' OD1' HG22 ' A' ' 24' ' ' VAL . 12.4 m-80 -91.67 114.87 27.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.676 -0.64 . . . . 0.0 110.103 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.62 157.93 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.744 -0.597 . . . . 0.0 109.751 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -118.63 145.97 45.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.478 -0.764 . . . . 0.0 109.502 173.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.862 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -136.55 142.9 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.614 -0.678 . . . . 0.0 109.749 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.31 136.13 36.05 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.427 169.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.73 177.36 8.4 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.954 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.98 -21.85 46.55 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.805 -0.559 . . . . 0.0 111.523 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -98.72 24.33 7.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.52 -0.737 . . . . 0.0 111.156 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.81 25.66 12.23 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.325 -0.859 . . . . 0.0 110.74 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.61 133.42 42.18 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HG2' HD22 ' A' ' 14' ' ' LEU . 36.8 mttt -109.68 139.12 45.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.5 -0.75 . . . . 0.0 110.422 -170.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.08 146.15 35.11 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.81 -0.556 . . . . 0.0 110.02 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.0 ptt180 -138.64 147.45 42.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.555 -0.716 . . . . 0.0 110.441 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -172.54 44.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.467 HG22 ' OD1' ' A' ' 10' ' ' ASN . 61.0 t -87.71 143.26 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.615 -0.932 . . . . 0.0 109.71 -177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -80.9 139.88 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.597 -0.689 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.683 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.5 p -125.16 -36.22 2.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.596 -0.69 . . . . 0.0 111.545 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -138.58 145.79 41.02 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.031 -1.043 . . . . 0.0 111.068 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -149.07 127.48 12.25 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.872 -0.518 . . . . 0.0 109.603 172.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -122.06 122.09 38.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.639 -0.663 . . . . 0.0 110.116 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -68.78 -29.76 68.2 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.792 -0.568 . . . . 0.0 110.768 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -60.33 -47.54 85.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.545 -0.722 . . . . 0.0 110.94 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.99 9.07 8.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.569 -0.707 . . . . 0.0 111.252 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m 50.76 66.98 1.01 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.274 -0.891 . . . . 0.0 110.911 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.037 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -113.5 133.75 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -125.4 123.83 40.15 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.645 . . . . 0.0 110.353 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -101.25 128.38 47.41 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.774 173.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -110.94 120.01 40.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.827 -0.546 . . . . 0.0 109.935 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.6 ttt180 -98.06 126.26 43.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 109.857 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.18 147.65 26.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.601 -0.687 . . . . 0.0 110.84 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.39 -8.94 15.06 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.932 -0.48 . . . . 0.0 111.859 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.28 30.15 0.71 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.079 -1.013 . . . . 0.0 111.013 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 61.65 27.81 17.13 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.97 -1.081 . . . . 0.0 110.568 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 m -121.53 139.1 53.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.0 110.014 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -132.36 143.87 50.14 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.684 -0.635 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -144.09 141.99 30.36 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.803 -0.56 . . . . 0.0 110.509 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.2 p -106.32 121.06 43.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.75 -0.594 . . . . 0.0 109.92 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -129.56 131.5 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.643 -0.661 . . . . 0.0 109.503 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HD12 ' A' ' 34' ' ' ILE . 39.3 t -72.22 137.55 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 109.268 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.405 ' HB ' HD12 ' A' ' 52' ' ' ILE . 74.1 p -61.47 -24.5 66.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.545 -0.722 . . . . 0.0 111.408 -172.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -57.53 -24.83 58.24 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.366 -0.834 . . . . 0.0 110.982 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.27 8.98 21.8 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.483 -0.761 . . . . 0.0 111.317 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.862 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.6 mt -78.03 113.0 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.148 -0.97 . . . . 0.0 109.789 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -81.75 -39.55 23.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.064 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.8 m-20 -152.66 144.65 23.73 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.621 -0.674 . . . . 0.0 110.88 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -124.69 144.21 50.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.744 -0.597 . . . . 0.0 110.87 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.93 156.79 44.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.722 -0.611 . . . . 0.0 109.762 170.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -114.98 129.96 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.609 -0.682 . . . . 0.0 109.456 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 N--CA 1.498 1.944 0 O-C-N 121.639 -0.663 . . . . 0.0 109.817 -175.834 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.552 -1.419 . . . . 9.69 109.552 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.77 38.4 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.767 -0.843 . . . . 7.55 110.264 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.5 ttt -133.87 151.32 51.49 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.714 -0.616 . . . . 8.13 110.193 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -69.94 137.01 27.8 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.517 -1.433 . . . . 3.28 109.517 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt -127.11 158.98 35.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 3.22 110.295 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -121.26 158.28 28.46 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.733 -0.604 . . . . 1.3 110.159 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.58 -32.43 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.655 -0.653 . . . . 1.28 110.043 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.632 -0.667 . . . . 0.77 110.509 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.12 -39.27 93.67 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.57 -0.706 . . . . 1.52 110.318 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.635 -0.666 . . . . 0.97 110.066 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 126.04 28.19 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.765 -0.585 . . . . 1.55 109.959 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.74 2.93 89.74 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.968 -0.853 . . . . 0.34 110.968 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -87.2 155.43 20.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.117 -1.225 . . . . 1.15 109.97 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -96.49 114.8 26.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.614 -0.679 . . . . 1.99 110.119 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -131.25 162.41 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.842 -0.536 . . . . 0.15 109.591 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -118.77 146.04 45.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.565 -0.709 . . . . 0.94 109.428 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.867 ' CG2' HG23 ' A' ' 52' ' ' ILE . 13.1 p -134.13 142.87 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.581 -0.7 . . . . 0.16 109.902 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.1 136.1 33.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.173 -1.011 . . . . 0.21 109.419 168.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.15 174.24 9.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.7 -0.8 . . . . 0.17 110.09 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -56.48 -22.01 29.61 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.688 -0.632 . . . . 0.66 111.611 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -95.5 24.31 5.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.509 -0.744 . . . . 0.95 110.971 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.19 26.2 13.5 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.346 -0.846 . . . . 1.07 110.762 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 p -96.98 142.01 29.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.27 109.103 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB3' HD22 ' A' ' 14' ' ' LEU . 16.3 ptmt -109.9 139.27 45.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 2.26 110.76 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.99 148.14 38.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.763 -0.585 . . . . 0.24 110.018 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -135.59 153.35 51.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.513 -0.742 . . . . 2.11 110.417 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.66 -179.36 48.76 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.491 -1.444 . . . . 0.24 109.491 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.18 133.28 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.681 -0.893 . . . . 0.28 109.382 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -65.71 136.9 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.598 -0.688 . . . . 0.33 110.261 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.4 p -125.11 -16.53 6.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.965 -0.459 . . . . 0.56 111.551 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -158.31 152.11 23.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.007 -1.058 . . . . 1.13 111.134 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -149.03 133.26 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.561 -0.533 . . . . 0.46 109.561 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.08 122.75 39.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.652 . . . . 1.04 109.881 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -73.61 -29.55 62.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.755 -0.59 . . . . 1.31 110.778 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -63.73 -44.19 94.29 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.525 -0.735 . . . . 1.13 110.788 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.03 6.92 8.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.526 -0.734 . . . . 1.68 111.377 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m 51.88 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.284 -0.885 . . . . 0.98 111.047 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 45.7 mm -116.65 132.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.547 -0.721 . . . . 0.23 109.5 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 37' ' ' LEU . 11.0 tp -124.72 124.24 41.73 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.71 -0.619 . . . . 0.21 110.307 -173.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -96.98 127.47 42.98 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.515 -0.55 . . . . 0.93 109.515 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 35' ' ' LEU . 89.8 mt -110.96 125.23 53.48 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.789 -0.57 . . . . 0.36 110.098 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 65.3 ttt180 -111.95 120.27 41.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.766 -0.584 . . . . 2.92 109.965 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.1 tp -102.01 158.69 15.97 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.361 0.6 . . . . 0.48 110.528 -173.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.04 -1.2 6.98 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.872 -0.518 . . . . 0.27 112.142 -170.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -87.53 26.45 1.26 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.102 -0.999 . . . . 1.89 110.822 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.1 27.82 17.59 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.109 -0.994 . . . . 1.95 110.465 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -122.49 137.45 54.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.462 -0.774 . . . . 0.36 110.189 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -131.82 146.48 52.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.757 -0.59 . . . . 0.36 110.212 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 47' ' ' ILE . 70.0 tttt -143.93 138.98 28.88 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.692 -0.63 . . . . 2.29 110.493 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.0 p -96.54 119.73 35.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.711 -0.618 . . . . 0.17 109.988 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.9 mt -129.9 130.45 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.602 -0.686 . . . . 0.25 109.5 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 41.6 t -72.7 136.27 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.58 -0.7 . . . . 0.23 109.116 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -63.29 -24.59 67.93 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 0.18 111.401 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.69 -25.21 62.62 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.363 -0.836 . . . . 2.93 110.741 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -89.46 13.06 14.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.461 -0.774 . . . . 0.23 111.274 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.867 HG23 ' CG2' ' A' ' 13' ' ' VAL . 94.8 mt -77.03 112.97 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.175 -0.953 . . . . 0.16 109.677 172.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -40.0 29.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 120.103 -0.639 . . . . 1.92 110.023 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.88 149.65 27.55 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.977 -0.689 . . . . 0.66 110.864 -175.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 52' ' ' ILE . 15.7 mt -128.34 144.2 51.1 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.771 -0.581 . . . . 0.21 110.99 -176.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -146.96 159.06 44.01 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.731 -0.605 . . . . 1.47 109.819 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 HG12 ' A' ' 11' ' ' VAL . 65.3 mt -113.45 130.12 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.653 -0.654 . . . . 0.34 109.331 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.12 147.28 42.25 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.565 -0.71 . . . . 0.52 109.965 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -69.68 117.16 4.91 Favored 'Trans proline' 0 N--CA 1.487 1.104 0 O-C-N 123.496 1.261 . . . . 1.2 110.38 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.68 -39.53 84.46 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.641 -0.662 . . . . 4.84 110.171 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -157.34 164.64 37.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.825 -0.547 . . . . 5.71 110.029 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -101.14 125.12 47.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.713 -0.617 . . . . 6.48 110.218 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.54 -34.61 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.714 -0.616 . . . . 8.39 109.825 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.9 mtt -104.11 161.75 21.99 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.693 -0.63 . . . . 11.19 110.357 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.52 152.68 80.29 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 O-C-N 123.738 1.388 . . . . 13.04 110.376 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -89.59 121.65 31.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.653 -0.655 . . . . 16.32 110.238 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -82.83 -33.04 27.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.687 -0.633 . . . . 16.5 110.301 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.01 -34.47 3.4 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.663 -1.375 . . . . 18.61 109.663 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -65.28 -33.12 75.22 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.634 -0.921 . . . . 19.46 110.446 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -77.78 152.74 33.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.644 -0.66 . . . . 20.9 110.196 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -74.95 163.28 69.24 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.768 -0.582 . . . . 21.18 110.232 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -66.34 143.58 70.78 Favored 'Trans proline' 0 N--CA 1.488 1.162 0 O-C-N 123.628 1.331 . . . . 22.24 110.446 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.693 -0.629 . . . . 22.49 110.297 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -133.03 167.87 19.51 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.717 -0.614 . . . . 23.03 110.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -92.81 124.02 36.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.691 -0.631 . . . . 24.24 110.164 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.9 p -146.45 163.72 34.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.742 -0.599 . . . . 22.91 110.228 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.488 HG22 ' HG3' ' A' ' 78' ' ' LYS . 19.6 m -84.63 -61.74 1.72 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.68 -0.637 . . . . 23.49 110.224 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' HG3' HG22 ' A' ' 77' ' ' THR . 56.6 mtmt -139.35 141.46 37.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.706 -0.621 . . . . 25.06 110.35 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.9 mm? -103.29 142.9 33.41 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.718 -0.614 . . . . 24.77 110.093 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -91.85 130.2 37.67 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.627 . . . . 24.96 110.078 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -66.28 -32.18 73.43 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.677 -0.639 . . . . 26.3 110.429 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.25 75.14 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 26.27 110.285 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -100.05 137.92 37.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.665 -0.647 . . . . 25.6 110.062 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -152.63 -46.65 0.1 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.674 -0.641 . . . . 26.11 110.337 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -111.71 145.62 38.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.638 -0.664 . . . . 28.59 110.295 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -137.51 166.62 23.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.711 -0.618 . . . . 26.32 110.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.5 p 48.77 96.56 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.387 0.613 . . . . 26.42 111.658 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.4 -41.18 98.47 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.589 -0.694 . . . . 28.31 110.582 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.29 -69.8 0.74 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.71 -0.619 . . . . 28.38 110.253 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -145.17 -63.12 0.34 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 28.52 110.173 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -138.8 -177.48 4.89 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.703 -0.623 . . . . 30.06 110.216 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -109.02 148.3 30.99 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.649 -0.657 . . . . 27.25 110.272 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.54 -36.2 83.11 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.665 -0.647 . . . . 28.15 110.383 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -84.12 132.98 34.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.597 -0.689 . . . . 27.85 110.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 90.7 m 52.12 -176.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.644 -0.66 . . . . 29.32 111.186 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.12 -37.34 17.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.685 . . . . 30.03 110.159 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -133.01 152.02 52.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.629 . . . . 31.33 110.145 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -96.33 132.13 42.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.748 -0.595 . . . . 31.63 110.092 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -148.95 164.02 35.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.703 -0.623 . . . . 32.35 110.182 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 52.53 51.94 15.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.55 -0.719 . . . . 33.1 110.851 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.84 -41.64 96.2 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.501 -0.749 . . . . 33.01 110.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.44 -165.91 0.06 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.625 -0.672 . . . . 34.24 111.052 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.81 28.36 4.36 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.659 -0.65 . . . . 35.38 110.666 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 t30 58.54 -79.37 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.804 -0.56 . . . . 36.56 111.426 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.05 -35.89 81.77 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.194 -0.941 . . . . 37.42 110.411 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -106.77 148.55 28.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.718 -0.613 . . . . 37.55 110.322 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 53.87 63.4 2.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.626 -0.671 . . . . 38.28 110.929 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -64.56 -38.02 89.56 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.544 -0.723 . . . . 39.97 110.33 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -159.82 59.4 0.37 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.712 -0.618 . . . . 39.35 110.141 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.6 tttp 53.21 36.43 22.54 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.386 -0.821 . . . . 40.39 110.8 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 53.61 32.09 13.78 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.569 -0.707 . . . . 43.28 110.984 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -139.35 143.25 37.68 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.617 -0.677 . . . . 42.27 110.164 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.57 137.98 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.672 -0.643 . . . . 42.53 110.183 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.45 -48.23 7.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.677 -0.639 . . . . 43.92 110.233 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.14 148.26 31.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.732 -0.605 . . . . 43.4 110.221 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -101.65 141.5 34.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.708 -0.62 . . . . 43.75 110.178 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -160.68 -42.64 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 45.14 110.595 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 51.98 93.65 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.512 -0.742 . . . . 43.26 111.036 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -37.4 84.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.674 -0.641 . . . . 44.71 110.222 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -137.12 158.53 44.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.665 -0.647 . . . . 44.34 110.348 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.505 2.311 0 CA-C-O 118.34 -0.838 . . . . 43.46 110.93 -179.553 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.85 36.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.726 -0.867 . . . . 0.0 110.229 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -65.91 -36.04 82.28 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.663 -0.648 . . . . 0.0 110.364 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -95.74 138.17 13.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm -126.25 157.36 38.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.638 -0.919 . . . . 0.0 110.167 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -120.93 148.99 43.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.646 -0.659 . . . . 0.0 110.307 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.12 -30.31 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.749 -0.595 . . . . 0.0 110.044 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -29.24 69.79 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.523 -0.736 . . . . 0.0 110.75 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -63.78 -39.66 94.8 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.565 -0.71 . . . . 0.0 110.319 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.491 ' O ' HD12 ' A' ' 25' ' ' ILE . 97.8 m-85 -83.23 -36.92 24.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.711 -0.618 . . . . 0.0 110.011 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 124.79 24.2 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.714 -0.616 . . . . 0.0 109.892 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.22 -0.16 89.41 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -87.16 148.03 25.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -1.201 . . . . 0.0 110.01 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -91.31 114.8 27.43 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.6 -0.687 . . . . 0.0 110.014 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 57' ' ' ILE . 26.9 m -131.84 164.49 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.783 -0.573 . . . . 0.0 109.545 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.0 tt0 -118.61 145.98 45.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.555 -0.716 . . . . 0.0 109.521 173.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.4 p -133.68 142.49 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.465 -0.772 . . . . 0.0 109.679 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.82 136.0 37.98 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.424 169.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.04 176.17 9.02 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.836 -0.746 . . . . 0.0 109.964 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.55 -22.46 44.76 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.718 -0.614 . . . . 0.0 111.481 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -100.7 25.49 7.81 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 111.234 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 59.05 26.06 14.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.175 -0.953 . . . . 0.0 110.952 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -98.13 132.91 43.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 167.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.7 ' HG2' HD22 ' A' ' 14' ' ' LEU . 42.3 mttt -109.74 135.92 49.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.55 -0.719 . . . . 0.0 110.358 -171.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.14 151.08 41.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.797 -0.565 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -136.61 157.43 46.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.559 -0.713 . . . . 0.0 110.263 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.92 48.56 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.1 132.59 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.894 . . . . 0.0 109.434 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 6' ' ' PHE . 58.5 mt -65.56 137.14 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.698 -0.626 . . . . 0.0 110.244 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.728 HG21 ' HB2' ' A' ' 38' ' ' ARG . 29.6 p -125.2 -16.11 6.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.903 -0.498 . . . . 0.0 111.604 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -158.19 151.86 23.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.985 -1.072 . . . . 0.0 111.132 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -149.08 132.66 16.76 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -122.12 123.16 40.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 109.828 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -74.39 -29.46 61.54 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.798 -0.563 . . . . 0.0 110.755 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -64.08 -42.83 96.8 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 110.734 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.734 ' OD1' HD11 ' A' ' 34' ' ' ILE . 8.4 t-20 -124.0 5.09 8.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.566 -0.709 . . . . 0.0 111.463 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 52.11 67.1 1.03 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.116 -0.99 . . . . 0.0 111.091 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 46.2 mm -117.8 132.46 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.523 -0.735 . . . . 0.0 109.579 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.72 123.57 40.28 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.712 -0.618 . . . . 0.0 110.309 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.91 128.66 44.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.813 -0.555 . . . . 0.0 109.587 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -112.22 126.0 54.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.759 -0.588 . . . . 0.0 110.091 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.728 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.5 ttt85 -112.2 121.35 44.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.757 -0.589 . . . . 0.0 109.933 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.9 tp -102.02 158.0 16.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.536 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.38 -4.68 8.61 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.899 -0.5 . . . . 0.0 112.083 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.47 29.83 0.75 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.034 -1.041 . . . . 0.0 110.798 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.87 29.49 17.63 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.168 -0.957 . . . . 0.0 110.316 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.6 m -123.55 137.16 54.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.505 -0.747 . . . . 0.0 110.218 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -131.06 146.63 52.44 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.696 -0.627 . . . . 0.0 110.172 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HD2' HD11 ' A' ' 47' ' ' ILE . 36.9 ttmt -144.04 140.04 29.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.715 -0.616 . . . . 0.0 110.475 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -97.18 120.11 36.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.73 -0.606 . . . . 0.0 110.012 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 45' ' ' LYS . 80.1 mt -129.61 130.53 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.658 -0.651 . . . . 0.0 109.508 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 40.1 t -73.13 136.41 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -63.07 -24.57 67.97 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.557 -0.715 . . . . 0.0 111.346 -172.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.78 -25.28 62.93 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.278 -0.888 . . . . 0.0 111.039 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.11 10.53 18.93 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.489 -0.757 . . . . 0.0 111.289 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.6 mt -76.13 112.92 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.19 -0.944 . . . . 0.0 109.722 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -81.45 -39.6 24.6 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 120.091 -0.643 . . . . 0.0 110.146 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.6 m-20 -152.73 146.6 25.25 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.624 -0.673 . . . . 0.0 110.867 -173.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 52' ' ' ILE . 15.8 mt -127.81 144.24 51.09 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.696 -0.627 . . . . 0.0 110.892 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -149.04 159.0 44.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.737 -0.602 . . . . 0.0 109.819 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 11' ' ' VAL . 68.7 mt -110.76 130.1 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.57 -0.706 . . . . 0.0 109.423 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' GLU . 47.4 mt -88.19 154.04 51.69 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.618 -0.676 . . . . 0.0 110.097 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -62.78 155.36 60.04 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 O-C-N 123.553 1.291 . . . . 0.0 110.558 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -88.32 122.13 31.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.642 -0.661 . . . . 0.0 110.041 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -119.31 126.39 51.34 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.695 -0.628 . . . . 0.0 110.233 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -103.68 145.32 30.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.672 -0.643 . . . . 0.0 110.116 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 pt -123.95 154.93 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.621 -0.674 . . . . 0.0 110.312 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.71 155.81 92.86 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 121.7 -0.625 . . . . 0.0 110.281 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -66.68 139.23 52.06 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 O-C-N 123.662 1.349 . . . . 0.0 110.387 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -125.22 140.93 52.42 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.726 -0.609 . . . . 0.0 110.218 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -109.69 131.69 54.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 110.168 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.91 -175.22 47.19 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.1 p -123.65 166.12 16.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.689 -0.889 . . . . 0.0 110.145 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.34 26.39 5.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.685 -0.635 . . . . 0.0 110.746 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -72.28 -56.92 3.92 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.503 -0.748 . . . . 0.0 110.505 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 71' ' ' SER . 32.5 Cg_endo -69.75 -29.15 24.37 Favored 'Trans proline' 0 N--CA 1.488 1.175 0 O-C-N 123.323 1.17 . . . . 0.0 110.631 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.1 t -94.98 148.56 22.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.588 -0.695 . . . . 0.0 110.169 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -130.37 164.9 23.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.691 -0.631 . . . . 0.0 110.342 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -102.42 -167.57 1.42 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.712 -0.618 . . . . 0.0 110.456 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.3 p -64.9 -30.07 71.04 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.667 -0.646 . . . . 0.0 110.849 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.2 p -126.35 150.0 48.83 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.548 -0.72 . . . . 0.0 110.377 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -81.36 -31.64 33.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.735 -0.603 . . . . 0.0 110.427 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.85 132.87 36.62 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 110.146 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -99.59 30.24 3.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.673 -0.642 . . . . 0.0 110.48 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.3 p -67.35 -32.29 73.13 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.559 -0.713 . . . . 0.0 110.415 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.69 74.46 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.638 -0.664 . . . . 0.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -103.45 138.46 40.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.691 -0.63 . . . . 0.0 110.254 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.1 p -125.27 162.81 23.9 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.719 -0.613 . . . . 0.0 110.148 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.32 28.08 8.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.666 -0.646 . . . . 0.0 110.613 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.0 m -123.37 148.42 46.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.498 -0.751 . . . . 0.0 110.147 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.9 p -118.25 150.98 38.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.692 -0.63 . . . . 0.0 110.202 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -102.44 139.33 38.18 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.724 -0.61 . . . . 0.0 110.161 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -114.58 31.64 6.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.685 -0.634 . . . . 0.0 110.383 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -89.61 -67.97 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.634 -0.666 . . . . 0.0 110.166 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.29 139.46 49.95 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.622 -0.674 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -123.56 142.83 50.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.691 -0.63 . . . . 0.0 110.22 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.8 mtt -108.14 -39.54 5.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.668 -0.645 . . . . 0.0 110.162 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -95.74 132.93 40.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.699 -0.626 . . . . 0.0 110.155 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.1 t -122.8 120.97 35.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.729 -0.607 . . . . 0.0 110.135 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -96.2 144.51 26.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.76 -0.587 . . . . 0.0 110.248 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -104.76 140.75 37.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.705 -0.622 . . . . 0.0 110.098 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -121.32 139.35 53.53 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.674 -0.641 . . . . 0.0 110.226 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.29 152.97 35.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.689 -0.632 . . . . 0.0 110.108 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -85.63 99.69 11.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.706 -0.621 . . . . 0.0 110.144 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -163.01 119.88 1.88 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.736 -0.602 . . . . 0.0 110.161 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.77 148.98 27.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.254 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.78 -58.95 1.79 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.683 -0.635 . . . . 0.0 110.133 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -106.93 129.86 54.68 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.708 -0.62 . . . . 0.0 110.133 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 105' ' ' LEU . 7.9 tt -105.55 127.77 53.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.622 -0.673 . . . . 0.0 110.2 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.05 -67.55 0.43 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.679 -0.638 . . . . 0.0 110.076 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -131.22 27.7 4.78 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.607 -0.683 . . . . 0.0 110.545 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.83 -32.89 11.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.517 -0.739 . . . . 0.0 110.442 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -86.26 116.07 24.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.648 -0.658 . . . . 0.0 110.209 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -123.94 147.06 48.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.711 -0.618 . . . . 0.0 110.096 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -94.32 127.51 40.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.653 -0.654 . . . . 0.0 110.202 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -137.21 160.49 38.86 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.654 -0.654 . . . . 0.0 110.179 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.22 133.1 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.689 -0.632 . . . . 0.0 109.677 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -111.2 148.86 31.87 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.692 -0.63 . . . . 0.0 110.23 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -94.95 147.31 23.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.702 -0.624 . . . . 0.0 110.175 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -103.45 168.6 9.06 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.702 -0.624 . . . . 0.0 110.218 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 52.61 94.1 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.61 -0.681 . . . . 0.0 110.994 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -98.45 18.44 16.57 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.652 -0.655 . . . . 0.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -101.12 25.07 8.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.342 -0.848 . . . . 0.0 110.634 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -67.06 -38.59 86.08 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.441 -0.787 . . . . 0.0 110.257 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.196 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -88.95 112.07 22.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.669 -0.9 . . . . 0.0 110.118 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -66.88 -36.35 82.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.643 -0.661 . . . . 0.0 110.328 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.37 40.51 33.13 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -100.93 164.0 12.03 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.767 -0.843 . . . . 0.0 110.31 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -111.08 161.04 16.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.72 -0.613 . . . . 0.0 110.195 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.6 -30.79 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.629 -0.67 . . . . 0.0 110.187 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.07 70.73 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.19 -38.82 91.69 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.641 -0.662 . . . . 0.0 110.244 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -68.67 -31.67 70.95 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.688 -0.633 . . . . 0.0 110.219 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.95 126.88 29.4 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.645 -0.659 . . . . 0.0 110.146 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.44 1.25 75.07 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 25' ' ' ILE . 75.3 p -87.17 150.0 24.25 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -1.179 . . . . 0.0 110.11 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -96.91 114.95 26.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.624 -0.672 . . . . 0.0 110.015 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 25' ' ' ILE . 30.6 m -129.68 163.9 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.856 -0.528 . . . . 0.0 109.6 178.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 58' ' ' LEU . 48.7 tt0 -118.64 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 109.236 172.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.6 p -135.43 140.8 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.627 -0.671 . . . . 0.0 109.725 177.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -95.59 136.05 36.47 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.719 171.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 177.65 8.41 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.004 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -58.73 -21.56 55.53 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.704 -0.622 . . . . 0.0 111.539 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -99.17 24.26 8.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.415 -0.803 . . . . 0.0 111.139 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 58.16 25.63 12.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.297 -0.877 . . . . 0.0 110.776 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p -97.16 132.94 42.45 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.704 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.76 139.09 45.22 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.49 -171.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 148.54 38.68 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.801 -0.562 . . . . 0.0 110.046 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' O ' HD13 ' A' ' 39' ' ' LEU . 10.9 ptm180 -139.45 147.39 41.31 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.652 -0.655 . . . . 0.0 110.395 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -173.33 45.6 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.64 141.43 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.575 -0.956 . . . . 0.0 109.755 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG ' ' A' ' 9' ' ' SER . 96.2 mt -80.73 139.61 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.552 -0.717 . . . . 0.0 110.025 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.9 p -125.19 -36.16 2.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.738 -0.601 . . . . 0.0 111.483 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -139.28 150.14 45.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.139 -0.975 . . . . 0.0 111.063 -173.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -149.1 133.34 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.07 123.28 41.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.699 -0.626 . . . . 0.0 109.885 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -75.84 -30.51 58.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.775 -0.578 . . . . 0.0 110.727 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -66.82 -38.92 87.39 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.523 -0.736 . . . . 0.0 110.716 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.0 2.62 8.68 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.643 -0.66 . . . . 0.0 111.492 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 51.83 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 121.19 -0.943 . . . . 0.0 110.936 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.07 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.26 133.43 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.638 -0.664 . . . . 0.0 109.645 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -125.09 124.72 42.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.683 -0.635 . . . . 0.0 110.154 -174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -98.91 129.49 45.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.811 -0.556 . . . . 0.0 109.84 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.89 119.94 40.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.897 -0.502 . . . . 0.0 109.89 178.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.4 ttt85 -96.91 125.04 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.738 -0.601 . . . . 0.0 109.751 176.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.4 tp -102.1 151.05 22.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.709 -0.619 . . . . 0.0 110.773 -174.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.44 -8.45 13.57 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.9 -0.5 . . . . 0.0 111.941 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -86.01 29.74 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.111 -0.993 . . . . 0.0 111.049 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 60.56 27.5 17.18 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.93 -1.106 . . . . 0.0 110.492 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -121.62 141.68 50.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.423 -0.798 . . . . 0.0 110.119 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.76 144.12 51.14 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.658 -0.651 . . . . 0.0 110.191 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -144.03 138.51 28.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.624 -0.672 . . . . 0.0 110.315 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -99.38 122.98 43.27 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.778 -0.576 . . . . 0.0 109.989 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.9 mt -128.87 131.52 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.668 -0.645 . . . . 0.0 109.455 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.07 HG22 HD12 ' A' ' 34' ' ' ILE . 39.6 t -74.85 136.24 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.634 -0.667 . . . . 0.0 109.22 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.418 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.5 p -64.5 -24.53 67.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.61 -0.681 . . . . 0.0 111.473 -172.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.99 -24.72 59.32 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.256 -0.902 . . . . 0.0 110.825 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.51 9.5 20.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.481 -0.762 . . . . 0.0 111.368 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.9 mt -77.08 112.98 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.124 -0.985 . . . . 0.0 109.802 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -82.38 -39.95 22.0 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.219 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 m-20 -150.85 143.17 24.23 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.616 -0.678 . . . . 0.0 110.839 -173.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 52' ' ' ILE . 15.0 mt -123.5 144.18 49.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.732 -0.605 . . . . 0.0 110.878 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -147.68 159.02 44.25 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.744 -0.597 . . . . 0.0 110.01 170.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 11' ' ' VAL . 83.2 mt -113.46 130.01 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.606 -0.684 . . . . 0.0 109.356 176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 12' ' ' GLU . 42.1 mt -89.62 137.77 28.53 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.588 -0.695 . . . . 0.0 109.953 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -69.75 128.89 16.68 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 O-C-N 123.396 1.208 . . . . 0.0 110.301 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 52.73 -178.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.615 -0.678 . . . . 0.0 111.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -75.84 -37.55 58.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.652 -0.655 . . . . 0.0 110.219 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -120.0 149.16 42.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.658 -0.651 . . . . 0.0 110.218 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.46 135.5 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.629 -0.669 . . . . 0.0 109.675 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.7 mmt -114.47 154.82 46.51 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.7 -0.625 . . . . 0.0 110.18 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.6 136.06 35.11 Favored 'Trans proline' 0 N--CA 1.487 1.102 0 O-C-N 123.665 1.35 . . . . 0.0 110.316 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -66.49 -38.83 88.11 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.738 -0.601 . . . . 0.0 110.254 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -106.42 147.75 28.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.709 -0.619 . . . . 0.0 110.195 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.43 -152.61 5.91 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.9 p -100.89 32.41 3.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.766 -0.843 . . . . 0.0 110.351 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 53.79 47.13 24.34 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.559 -0.713 . . . . 0.0 110.806 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.4 p -82.06 155.53 69.91 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.64 -0.662 . . . . 0.0 110.268 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.71 -39.21 12.18 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.727 1.383 . . . . 0.0 110.561 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 t -160.01 40.86 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.605 -0.684 . . . . 0.0 110.39 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -117.41 143.32 46.13 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.552 -0.718 . . . . 0.0 110.112 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 54.28 43.24 30.83 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.488 -0.758 . . . . 0.0 110.71 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.7 p -126.7 159.9 32.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -109.91 142.24 41.54 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.642 -0.661 . . . . 0.0 110.133 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -88.32 132.8 34.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.684 -0.635 . . . . 0.0 110.168 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 81' ' ' SER . 16.3 tp -103.97 145.06 30.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.726 -0.609 . . . . 0.0 110.137 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -61.2 -32.62 72.37 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.643 -0.66 . . . . 0.0 110.623 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.403 ' HB2' HD23 ' A' ' 79' ' ' LEU . 25.2 m -63.14 -32.65 74.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.615 -0.678 . . . . 0.0 110.476 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -32.12 73.38 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.639 -0.663 . . . . 0.0 110.437 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -98.26 158.06 15.8 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.654 -0.653 . . . . 0.0 110.123 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.9 m -64.55 -40.06 94.9 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.647 -0.658 . . . . 0.0 110.344 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -159.15 -64.41 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.744 -0.598 . . . . 0.0 110.261 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -141.91 144.29 33.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.623 -0.673 . . . . 0.0 110.209 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -67.57 -35.51 79.15 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.594 -0.691 . . . . 0.0 110.16 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -105.41 157.63 17.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.728 -0.607 . . . . 0.0 110.187 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -96.17 110.77 22.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -101.42 147.9 25.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.664 -0.647 . . . . 0.0 110.223 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.4 m-90 -105.02 130.47 53.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.654 -0.654 . . . . 0.0 110.169 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.3 p -89.59 -33.07 16.83 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.699 -0.626 . . . . 0.0 110.375 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.5 mtt -66.79 -36.16 81.75 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.638 -0.663 . . . . 0.0 110.3 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.92 133.54 33.9 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.661 -0.65 . . . . 0.0 110.19 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.2 p -148.51 152.23 36.51 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.699 -0.626 . . . . 0.0 110.341 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -108.17 152.5 24.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.617 -0.677 . . . . 0.0 110.368 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -126.93 156.16 41.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.627 -0.671 . . . . 0.0 110.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -104.42 147.78 27.17 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.706 -0.621 . . . . 0.0 110.163 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -138.78 164.08 30.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.613 -0.679 . . . . 0.0 110.356 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -143.86 176.23 9.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.712 -0.617 . . . . 0.0 110.3 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -102.95 130.82 50.14 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.674 -0.641 . . . . 0.0 110.21 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.97 135.84 45.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.72 -0.612 . . . . 0.0 110.181 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.51 12.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.734 -0.604 . . . . 0.0 110.245 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.92 -33.63 76.48 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.635 -0.666 . . . . 0.0 110.465 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 105' ' ' LEU . 6.3 mp -93.56 141.36 28.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.746 -0.596 . . . . 0.0 110.176 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -99.09 146.41 26.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.751 -0.593 . . . . 0.0 110.204 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.88 151.27 21.93 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.658 -0.651 . . . . 0.0 110.136 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -98.5 25.43 6.38 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.636 -0.665 . . . . 0.0 110.718 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.428 ' HB2' HG21 ' A' ' 113' ' ' VAL . 74.0 m-20 -94.61 130.74 40.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.501 -0.749 . . . . 0.0 110.174 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.7 163.21 24.01 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.621 -0.674 . . . . 0.0 110.146 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.2 tttp 65.39 -65.71 0.16 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 122.087 -0.383 . . . . 0.0 110.972 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -59.96 -30.4 69.07 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.379 -0.826 . . . . 0.0 110.742 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 109' ' ' ASP . 60.4 t -92.52 138.43 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 0.0 109.717 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -110.04 152.83 25.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.706 -0.621 . . . . 0.0 110.248 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.39 73.78 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.764 -0.585 . . . . 0.0 110.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -96.87 153.98 17.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.666 -0.646 . . . . 0.0 110.081 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -103.29 130.93 50.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.248 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 117.67 22.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.725 -0.61 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.93 165.48 25.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.689 -0.632 . . . . 0.0 110.347 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -64.56 -34.37 78.09 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.635 -0.666 . . . . 0.0 110.384 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.506 2.36 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.987 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.43 75.29 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.617 -0.931 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.8 mtp -123.57 160.67 26.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.643 -0.661 . . . . 0.0 110.22 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -143.83 179.24 21.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt -101.81 145.63 28.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.905 . . . . 0.0 110.23 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -119.73 150.3 40.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.651 -0.656 . . . . 0.0 110.221 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.39 -31.03 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.727 -0.608 . . . . 0.0 110.121 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.75 71.03 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.559 -0.713 . . . . 0.0 110.63 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.42 -39.81 94.55 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.635 -0.666 . . . . 0.0 110.41 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.67 -31.28 57.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.647 -0.658 . . . . 0.0 110.28 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.51 128.1 34.89 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.596 -0.69 . . . . 0.0 110.023 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 2.27 90.42 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -87.18 141.6 28.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.255 -1.144 . . . . 0.0 110.081 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.39 114.8 27.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.603 -0.685 . . . . 0.0 109.621 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -133.94 163.86 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.675 -0.64 . . . . 0.0 109.939 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.9 tt0 -118.67 146.13 44.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.539 -0.726 . . . . 0.0 109.557 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.86 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.13 142.51 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.772 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.82 136.12 36.66 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.461 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.71 176.51 8.91 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.101 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -56.66 -22.62 35.91 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.696 -0.628 . . . . 0.0 111.461 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -100.22 25.45 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.532 -0.73 . . . . 0.0 111.019 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.13 25.83 12.94 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.294 -0.879 . . . . 0.0 110.742 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -93.78 132.97 37.65 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HG2' HD22 ' A' ' 14' ' ' LEU . 33.7 mttp -109.71 135.93 49.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.483 -171.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 153.0 43.79 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.792 -0.568 . . . . 0.0 109.822 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.2 ptt180 -143.24 152.79 42.11 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.566 -0.709 . . . . 0.0 110.668 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.85 -174.74 46.83 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.17 130.37 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.59 -0.947 . . . . 0.0 109.78 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 37' ' ' LEU . 90.1 mt -69.61 141.81 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.663 -0.648 . . . . 0.0 110.027 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.19 -36.1 2.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.72 -0.613 . . . . 0.0 111.504 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -141.05 150.56 43.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.099 -1.001 . . . . 0.0 111.103 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -149.11 133.25 17.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.05 121.22 36.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.706 -0.622 . . . . 0.0 109.899 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -70.82 -26.15 63.17 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.869 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 t -61.52 -49.63 75.95 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.431 -0.793 . . . . 0.0 110.773 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.766 ' OD1' HD11 ' A' ' 34' ' ' ILE . 10.1 t-20 -124.04 10.79 8.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.584 -0.698 . . . . 0.0 111.342 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m 51.31 67.0 1.02 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.252 -0.905 . . . . 0.0 111.177 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.067 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -115.79 131.81 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.471 -0.768 . . . . 0.0 109.684 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.34 123.7 41.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.785 -0.572 . . . . 0.0 110.242 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.04 127.68 43.25 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.793 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.2 mt -110.94 119.95 40.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.844 -0.535 . . . . 0.0 109.971 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.665 ' HB2' HG21 ' A' ' 26' ' ' THR . 6.1 tmm_? -97.79 124.76 42.29 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.674 -0.641 . . . . 0.0 109.822 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.09 149.69 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.694 -0.629 . . . . 0.0 110.835 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.85 -9.27 14.1 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.973 -0.455 . . . . 0.0 111.847 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.75 31.03 0.62 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.144 -0.973 . . . . 0.0 110.978 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 57.89 29.45 17.59 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.03 -1.043 . . . . 0.0 110.335 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -121.62 141.17 51.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.069 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -128.77 142.84 50.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.619 -0.676 . . . . 0.0 110.175 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -144.04 137.5 27.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.322 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.0 p -99.19 122.71 42.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.697 -0.627 . . . . 0.0 109.976 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -128.29 134.89 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 109.481 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.067 HG22 HD12 ' A' ' 34' ' ' ILE . 40.5 t -78.79 135.92 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.614 -0.679 . . . . 0.0 109.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.41 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.6 p -63.57 -24.6 67.87 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.585 -0.697 . . . . 0.0 111.351 -172.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -58.29 -25.09 61.42 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.362 -0.836 . . . . 0.0 110.799 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -87.84 10.13 19.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.467 -0.771 . . . . 0.0 111.413 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.86 HG23 ' CG2' ' A' ' 13' ' ' VAL . 82.2 mt -78.52 112.97 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.213 -0.929 . . . . 0.0 109.831 174.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -82.04 -39.61 23.25 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.149 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.5 m-20 -152.42 145.23 24.36 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.892 -173.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 52' ' ' ILE . 15.5 mt -125.54 144.24 50.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.764 -0.585 . . . . 0.0 110.788 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -147.59 159.02 44.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.6 -0.688 . . . . 0.0 109.824 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 HG12 ' A' ' 11' ' ' VAL . 83.1 mt -112.89 130.06 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.614 -0.679 . . . . 0.0 109.411 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 12' ' ' GLU . 71.0 mt -94.98 153.46 39.87 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.691 -0.63 . . . . 0.0 110.129 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.39 83.37 0.81 Allowed 'Trans proline' 0 N--CA 1.487 1.094 0 O-C-N 123.685 1.361 . . . . 0.0 110.313 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -134.22 157.3 46.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.48 -0.762 . . . . 0.0 110.209 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.2 t30 54.86 42.24 31.28 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.508 -0.745 . . . . 0.0 110.749 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -32.32 73.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.679 -0.638 . . . . 0.0 110.43 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.7 mt -107.05 140.71 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.652 -0.655 . . . . 0.0 109.68 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -88.26 163.58 36.31 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.747 -0.596 . . . . 0.0 110.199 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -65.54 -31.36 50.91 Favored 'Trans proline' 0 N--CA 1.489 1.243 0 O-C-N 123.663 1.349 . . . . 0.0 110.679 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -87.65 126.18 34.81 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.649 -0.657 . . . . 0.0 110.152 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -90.97 -34.57 15.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.749 -0.595 . . . . 0.0 110.227 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.28 77.39 1.36 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -89.86 140.39 29.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.613 -0.933 . . . . 0.0 110.224 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -90.62 136.75 32.86 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.817 -0.552 . . . . 0.0 110.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -124.2 87.8 53.32 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.648 -0.657 . . . . 0.0 110.193 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -66.19 -31.79 43.98 Favored 'Trans proline' 0 N--CA 1.49 1.283 0 O-C-N 123.543 1.286 . . . . 0.0 110.521 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.7 t -86.31 173.91 9.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.583 -0.698 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.2 p -98.98 30.98 3.16 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.762 -0.586 . . . . 0.0 110.507 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -100.31 32.86 2.86 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.579 -0.701 . . . . 0.0 110.295 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -64.47 -29.35 70.39 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.63 -0.669 . . . . 0.0 110.652 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -64.0 -36.33 83.63 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.592 -0.692 . . . . 0.0 110.293 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 52.77 93.85 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.634 -0.667 . . . . 0.0 111.071 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.26 -34.44 78.35 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.654 -0.654 . . . . 0.0 110.28 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.0 mttt 53.31 43.2 31.76 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.595 -0.691 . . . . 0.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -63.73 -35.85 81.92 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.568 -0.708 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.31 74.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.65 -0.656 . . . . 0.0 110.242 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.16 -32.69 74.29 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.703 -0.623 . . . . 0.0 110.288 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.1 m -65.41 -40.75 93.79 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.613 -0.68 . . . . 0.0 110.276 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.2 -42.75 83.65 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.705 -0.622 . . . . 0.0 110.231 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.1 p -146.74 155.27 42.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.716 -0.615 . . . . 0.0 110.063 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 t -120.93 141.79 50.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.669 -0.644 . . . . 0.0 110.328 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -134.76 145.63 48.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.701 -0.625 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -107.35 117.81 35.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.745 -0.597 . . . . 0.0 110.227 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -65.93 -35.84 81.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.707 -0.621 . . . . 0.0 110.326 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.4 m-90 -110.83 140.29 45.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.664 -0.647 . . . . 0.0 110.208 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.6 p -103.07 28.57 6.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.671 -0.643 . . . . 0.0 110.545 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 23.1 ttt -66.29 -34.95 79.16 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.596 -0.69 . . . . 0.0 110.266 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -106.05 162.01 13.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.643 -0.661 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.0 -48.41 4.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.757 -0.589 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.63 -59.74 1.13 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.654 -0.653 . . . . 0.0 110.16 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -106.18 138.12 42.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.679 -0.638 . . . . 0.0 110.178 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -70.14 -38.98 75.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.676 -0.64 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -162.52 -46.36 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.662 -0.649 . . . . 0.0 110.334 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.06 145.39 53.51 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.63 -0.669 . . . . 0.0 110.239 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -133.58 161.4 34.71 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.708 -0.62 . . . . 0.0 110.211 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.08 144.96 53.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.643 -0.661 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.92 74.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.719 -0.613 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -95.82 154.59 17.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.609 -0.682 . . . . 0.0 110.308 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.0 mt -102.22 129.84 48.72 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.661 -0.649 . . . . 0.0 110.229 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.94 -34.07 74.75 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.691 -0.631 . . . . 0.0 110.186 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -96.29 170.73 9.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.725 -0.609 . . . . 0.0 110.137 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -63.99 -37.04 85.96 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.651 -0.656 . . . . 0.0 110.47 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -150.04 29.22 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.628 -0.67 . . . . 0.0 110.48 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 tttp 52.05 89.9 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.496 -0.753 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -93.02 128.52 38.92 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.663 -0.648 . . . . 0.0 110.106 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -120.09 147.31 45.01 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.648 -0.658 . . . . 0.0 110.211 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.97 -24.58 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.711 -0.618 . . . . 0.0 110.757 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.49 -39.12 92.48 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.476 -0.765 . . . . 0.0 110.601 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.01 95.01 9.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.662 -0.649 . . . . 0.0 110.208 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.86 -34.69 75.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.715 -0.615 . . . . 0.0 110.188 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.14 150.09 26.16 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.691 -0.631 . . . . 0.0 110.288 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -138.21 158.91 43.37 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.675 -0.641 . . . . 0.0 110.33 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -98.84 29.34 3.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.745 -0.597 . . . . 0.0 110.609 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -91.29 132.51 36.1 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.598 -0.689 . . . . 0.0 110.148 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.195 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.28 141.93 35.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.603 -0.939 . . . . 0.0 110.208 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.61 -34.67 78.77 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.626 -0.671 . . . . 0.0 110.337 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 101.26 -34.5 5.6 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtm -127.17 157.5 39.57 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.63 -0.924 . . . . 0.0 110.147 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -120.62 151.06 39.94 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.648 -0.658 . . . . 0.0 110.279 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.5 -31.34 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.74 -0.6 . . . . 0.0 110.057 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.5 70.73 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.602 -0.686 . . . . 0.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -64.32 -39.7 94.42 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.573 -0.704 . . . . 0.0 110.353 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.12 -31.88 68.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.709 -0.619 . . . . 0.0 110.212 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -72.37 131.1 42.18 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.535 -0.728 . . . . 0.0 109.811 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.52 0.85 88.02 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -87.19 149.07 24.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.232 -1.158 . . . . 0.0 110.113 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.65 114.86 26.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 109.949 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 25' ' ' ILE . 27.1 m -129.48 162.24 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.762 -0.586 . . . . 0.0 109.754 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.0 tt0 -118.68 146.02 45.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.578 -0.701 . . . . 0.0 109.706 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.868 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.7 p -133.49 143.27 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 110.019 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.76 136.07 34.42 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.356 167.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.16 175.46 8.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.868 174.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.75 -20.61 36.13 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.713 -0.617 . . . . 0.0 111.589 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -95.16 23.74 5.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.434 -0.791 . . . . 0.0 111.031 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.56 25.76 13.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.39 -0.819 . . . . 0.0 110.783 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -100.9 143.35 31.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.516 -0.74 . . . . 0.0 109.172 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HB3' HD22 ' A' ' 14' ' ' LEU . 30.3 pttt -109.9 141.12 43.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.525 -0.735 . . . . 0.0 110.964 -174.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.36 146.26 44.3 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.811 -0.556 . . . . 0.0 109.882 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.564 ' O ' HD13 ' A' ' 39' ' ' LEU . 9.1 ptm180 -138.39 144.51 40.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.525 -0.735 . . . . 0.0 110.578 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -175.0 47.06 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.82 138.3 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.72 -0.871 . . . . 0.0 109.742 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 89.8 mt -80.49 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.587 -0.696 . . . . 0.0 110.112 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.541 HG21 ' CG ' ' A' ' 38' ' ' ARG . 39.7 p -125.22 -36.17 2.54 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.723 -0.611 . . . . 0.0 111.638 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.131 -0.98 . . . . 0.0 111.166 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -149.13 129.47 13.79 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.07 121.53 37.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.742 -0.599 . . . . 0.0 110.03 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.5 m -69.41 -29.96 67.81 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.746 -0.597 . . . . 0.0 110.696 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -60.33 -47.58 85.45 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 0.0 110.941 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.569 ' OD1' HD11 ' A' ' 34' ' ' ILE . 4.5 t-20 -123.98 8.96 8.7 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 111.359 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m 51.27 67.05 1.01 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.047 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.99 134.58 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.0 109.728 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD11 HG23 ' A' ' 25' ' ' ILE . 11.9 tp -124.59 125.42 44.14 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 110.212 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -102.92 129.0 49.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.737 -0.602 . . . . 0.0 109.89 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.88 122.25 47.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.851 -0.53 . . . . 0.0 110.191 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.541 ' CG ' HG21 ' A' ' 26' ' ' THR . 10.4 mmt85 -95.17 124.22 39.09 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.741 -0.6 . . . . 0.0 109.715 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.9 tp -102.08 149.52 24.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.763 -0.585 . . . . 0.0 110.777 -174.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.48 -7.55 14.88 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.953 -0.467 . . . . 0.0 111.919 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.83 28.68 0.87 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.039 -1.038 . . . . 0.0 110.981 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 t0 61.21 28.02 17.67 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.958 -1.089 . . . . 0.0 110.466 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.2 m -118.71 143.96 46.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.341 -0.849 . . . . 0.0 110.267 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -123.18 145.86 48.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.674 -0.641 . . . . 0.0 110.085 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -144.1 141.96 30.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.639 -0.663 . . . . 0.0 110.65 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.0 p -115.88 116.89 28.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.812 -0.555 . . . . 0.0 109.833 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.24 131.22 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 109.516 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.047 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.37 136.72 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.618 -0.676 . . . . 0.0 109.25 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 52' ' ' ILE . 75.0 p -62.4 -24.6 67.48 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.606 -0.684 . . . . 0.0 111.433 -172.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -57.25 -25.07 58.57 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.25 -0.906 . . . . 0.0 111.039 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -87.44 9.46 20.72 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.388 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.868 HG23 ' CG2' ' A' ' 13' ' ' VAL . 84.5 mt -78.87 113.0 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.181 -0.949 . . . . 0.0 109.792 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -81.57 -38.78 25.58 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.154 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.2 m-20 -153.35 147.94 26.18 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.853 -175.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 52' ' ' ILE . 16.1 mt -127.77 144.15 51.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.779 -0.576 . . . . 0.0 110.898 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -146.28 159.02 43.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.73 -0.606 . . . . 0.0 109.722 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 HG12 ' A' ' 11' ' ' VAL . 78.4 mt -113.39 130.05 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.458 -0.776 . . . . 0.0 109.379 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.8 mt -92.31 128.8 43.48 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.751 -0.593 . . . . 0.0 110.039 -174.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -68.69 158.5 57.53 Favored 'Trans proline' 0 N--CA 1.489 1.223 0 O-C-N 123.36 1.19 . . . . 0.0 110.301 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -87.33 123.73 32.61 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.639 -0.663 . . . . 0.0 110.118 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.98 -34.48 19.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.648 -0.658 . . . . 0.0 110.334 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -108.91 137.42 46.87 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.732 -0.605 . . . . 0.0 110.322 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.51 134.34 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.665 -0.647 . . . . 0.0 109.562 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.7 ttt -101.62 117.15 62.42 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 110.067 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.09 -34.48 16.73 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 O-C-N 123.364 1.191 . . . . 0.0 110.385 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -65.3 -37.6 87.64 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.504 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 51.87 -173.48 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.578 -0.701 . . . . 0.0 111.079 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.52 78.91 0.44 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.9 p -69.43 -33.71 73.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.661 -0.905 . . . . 0.0 110.205 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.16 141.93 35.02 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.66 -0.65 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -126.93 84.29 63.67 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.709 -0.62 . . . . 0.0 110.132 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.63 -31.26 86.63 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 O-C-N 123.57 1.3 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m 52.38 94.1 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.58 -0.7 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -120.91 143.39 48.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.666 -0.646 . . . . 0.0 110.067 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 58.01 167.7 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.582 -0.699 . . . . 0.0 110.923 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -115.73 150.94 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.604 -0.685 . . . . 0.0 110.179 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.3 m -84.03 143.24 29.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.67 -0.644 . . . . 0.0 110.098 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -63.03 -36.79 84.73 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.65 -0.656 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.1 128.96 51.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.744 -0.598 . . . . 0.0 110.105 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -139.03 144.24 38.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.671 -0.643 . . . . 0.0 110.192 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -63.27 -34.92 78.72 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.642 -0.662 . . . . 0.0 110.467 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.29 71.97 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.719 -0.613 . . . . 0.0 110.413 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 52.63 -170.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.518 -0.739 . . . . 0.0 111.009 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 m -86.55 142.84 28.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.746 -0.597 . . . . 0.0 110.18 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -96.59 132.29 42.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.704 -0.622 . . . . 0.0 110.228 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -135.13 -62.54 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.686 -0.634 . . . . 0.0 110.296 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.6 p -125.17 151.55 45.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.612 -0.68 . . . . 0.0 110.227 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -120.61 34.3 5.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.078 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.76 -33.17 75.05 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.619 -0.676 . . . . 0.0 110.569 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -92.83 127.86 38.49 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.653 -0.655 . . . . 0.0 110.258 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -98.47 -53.13 3.42 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.621 -0.674 . . . . 0.0 110.231 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.8 m -117.12 145.85 43.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.617 -0.677 . . . . 0.0 110.228 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.1 mmm -66.83 -36.91 83.44 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.761 -0.587 . . . . 0.0 110.381 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.85 132.95 35.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 94.9 m -108.13 -34.44 6.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.666 -0.646 . . . . 0.0 110.263 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.4 172.27 8.5 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.733 -0.604 . . . . 0.0 110.42 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -101.63 150.98 22.55 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.7 -0.625 . . . . 0.0 110.135 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -88.51 149.39 23.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.649 -0.657 . . . . 0.0 110.171 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -100.58 122.33 43.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.775 -0.578 . . . . 0.0 110.306 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -162.57 158.95 24.12 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.726 -0.608 . . . . 0.0 110.177 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -120.16 151.61 38.86 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.679 -0.638 . . . . 0.0 110.211 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.47 72.74 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.713 -0.617 . . . . 0.0 110.343 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.68 146.86 24.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.671 -0.643 . . . . 0.0 110.226 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -101.25 137.06 40.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.711 -0.618 . . . . 0.0 110.248 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.31 137.84 33.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.698 -0.626 . . . . 0.0 110.099 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -65.19 139.26 58.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.639 -0.663 . . . . 0.0 110.355 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -130.37 158.41 39.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.692 -0.63 . . . . 0.0 110.182 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -128.89 162.84 26.58 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.665 -0.647 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.75 87.17 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -107.54 142.66 37.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.588 -0.695 . . . . 0.0 110.26 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -102.99 141.18 36.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.742 -0.599 . . . . 0.0 110.177 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -65.56 -37.65 87.29 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.675 -0.64 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.66 158.8 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.664 -0.647 . . . . 0.0 110.146 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -104.03 127.16 51.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 110.141 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.84 19.48 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.666 -0.646 . . . . 0.0 110.236 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.1 -37.41 83.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.673 -0.642 . . . . 0.0 110.251 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.0 t80 56.12 173.12 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.531 -0.731 . . . . 0.0 110.921 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -149.7 148.62 29.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.451 -0.781 . . . . 0.0 110.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -141.21 146.61 37.12 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.7 -0.625 . . . . 0.0 110.203 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -102.48 -39.78 6.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.723 -0.611 . . . . 0.0 110.134 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.314 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.25 32.89 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.89 . . . . 0.0 110.248 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.9 tpt -157.26 -46.14 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.628 -0.67 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -65.87 -34.9 89.94 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp -100.85 135.3 42.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.701 -0.882 . . . . 0.0 110.156 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -126.04 150.87 47.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 110.234 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.74 -32.15 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.71 -0.619 . . . . 0.0 109.977 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -30.03 70.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.614 -0.679 . . . . 0.0 110.658 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.97 -39.58 94.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.582 -0.699 . . . . 0.0 110.409 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -71.72 -31.38 66.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.729 -0.607 . . . . 0.0 110.231 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.6 124.05 21.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.494 -0.754 . . . . 0.0 110.125 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -2.87 75.15 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.418 ' OG ' HD12 ' A' ' 25' ' ' ILE . 71.9 p -87.17 152.98 21.86 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.121 -1.223 . . . . 0.0 110.004 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.482 ' ND2' HG22 ' A' ' 24' ' ' VAL . 5.7 m120 -96.89 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.746 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.86 161.09 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.685 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -118.65 145.64 45.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.493 -0.754 . . . . 0.0 109.415 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.859 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.0 141.91 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.522 -0.736 . . . . 0.0 109.666 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.4 136.05 37.43 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.499 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.22 176.07 9.0 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.856 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.7 -22.04 44.02 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.741 -0.599 . . . . 0.0 111.552 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -100.48 25.96 7.17 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.467 -0.77 . . . . 0.0 111.284 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.77 25.91 14.07 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.282 -0.886 . . . . 0.0 110.941 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.4 p -99.41 132.92 44.41 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' HD22 ' A' ' 14' ' ' LEU . 74.6 mttt -109.74 138.21 46.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.607 -0.683 . . . . 0.0 110.403 -171.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 146.78 35.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.705 -0.622 . . . . 0.0 110.1 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.5 ptm180 -137.5 149.85 47.11 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.61 -0.681 . . . . 0.0 110.467 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.75 -172.05 44.29 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.0 t -90.03 140.83 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.576 -0.955 . . . . 0.0 109.606 -178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.746 HD11 HG21 ' A' ' 11' ' ' VAL . 93.5 mt -80.48 139.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.614 -0.679 . . . . 0.0 109.967 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.687 HG21 ' HB2' ' A' ' 38' ' ' ARG . 37.4 p -125.14 -36.14 2.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.611 -0.681 . . . . 0.0 111.589 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -137.03 146.71 45.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.987 . . . . 0.0 111.08 -172.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -121.98 121.0 36.06 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.661 -0.649 . . . . 0.0 109.981 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -69.95 -32.24 70.39 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.737 -0.602 . . . . 0.0 110.7 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -62.35 -44.63 96.03 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.525 -0.735 . . . . 0.0 110.846 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 11.11 8.89 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 111.346 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.3 p 46.7 66.71 0.92 Allowed 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.546 -0.722 . . . . 0.0 111.558 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.013 HD12 HG22 ' A' ' 48' ' ' VAL . 45.2 mm -115.02 133.3 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.46 -0.775 . . . . 0.0 109.713 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.88 124.87 42.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.747 -0.596 . . . . 0.0 110.275 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -102.39 129.39 48.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.789 -0.569 . . . . 0.0 109.798 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 25' ' ' ILE . 60.1 mt -110.94 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.75 -0.594 . . . . 0.0 109.997 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.687 ' HB2' HG21 ' A' ' 26' ' ' THR . 41.9 ttm180 -96.74 125.16 41.0 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.828 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.0 tp -102.06 148.81 24.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.6 -0.687 . . . . 0.0 110.851 -174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -9.63 15.21 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.895 -0.503 . . . . 0.0 111.767 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.63 31.08 0.61 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.087 -1.008 . . . . 0.0 111.005 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.11 29.42 17.82 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.123 -0.986 . . . . 0.0 110.436 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -121.28 140.48 52.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -129.62 144.96 51.51 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.72 -0.613 . . . . 0.0 110.23 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -144.01 142.11 30.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.708 -0.62 . . . . 0.0 110.499 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -107.68 120.87 43.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.746 -0.596 . . . . 0.0 109.886 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.36 129.98 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.013 HG22 HD12 ' A' ' 34' ' ' ILE . 36.8 t -71.67 137.44 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.281 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -62.18 -24.46 67.21 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.6 -0.687 . . . . 0.0 111.423 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.6 -25.53 60.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.252 -0.905 . . . . 0.0 110.891 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.44 9.61 20.24 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.511 -0.743 . . . . 0.0 111.31 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.859 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.01 112.94 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.185 -0.947 . . . . 0.0 109.786 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -81.83 -39.01 24.62 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.157 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 m-20 -153.1 146.28 24.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.6 -0.688 . . . . 0.0 110.961 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD11 HG21 ' A' ' 52' ' ' ILE . 15.3 mt -127.17 144.2 51.09 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.834 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -149.01 159.08 44.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.649 -0.657 . . . . 0.0 110.057 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 11' ' ' VAL . 82.3 mt -111.58 129.95 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.599 -0.688 . . . . 0.0 109.282 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -77.35 151.66 81.0 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.627 -0.67 . . . . 0.0 110.336 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -73.03 -9.0 23.07 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 O-C-N 123.64 1.337 . . . . 0.0 111.57 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.0 mttt 53.02 -170.5 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.187 -0.946 . . . . 0.0 110.833 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -74.03 149.01 41.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.682 -0.636 . . . . 0.0 110.181 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -92.67 139.36 30.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 110.169 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.83 -34.06 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.712 -0.617 . . . . 0.0 109.817 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.5 ptm -66.31 154.87 89.52 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.648 -0.657 . . . . 0.0 110.468 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -67.8 160.23 49.25 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 O-C-N 123.597 1.314 . . . . 0.0 110.34 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -88.65 169.3 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.622 -0.674 . . . . 0.0 110.187 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 t30 54.84 40.98 32.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.629 -0.669 . . . . 0.0 110.836 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.17 34.09 1.11 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -126.87 135.49 51.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.592 -0.946 . . . . 0.0 110.145 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -65.92 -39.05 90.2 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.703 -0.623 . . . . 0.0 110.282 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 159.43 0.1 Allowed Pre-proline 0 N--CA 1.508 2.429 0 O-C-N 121.783 -0.573 . . . . 0.0 110.957 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -67.67 146.38 73.0 Favored 'Trans proline' 0 N--CA 1.487 1.145 0 O-C-N 123.506 1.266 . . . . 0.0 110.373 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -102.09 89.91 3.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.712 -0.617 . . . . 0.0 110.186 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -141.19 158.53 43.78 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.557 -0.715 . . . . 0.0 110.367 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -106.64 128.22 53.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.651 -0.655 . . . . 0.0 110.096 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -131.9 152.93 50.73 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.665 -0.647 . . . . 0.0 110.216 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 p -78.39 -31.82 48.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.763 -0.586 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.86 -36.54 84.25 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.673 -0.642 . . . . 0.0 110.493 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.89 121.81 44.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.74 -0.6 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.544 ' HE3' ' HB3' ' A' ' 82' ' ' ALA . 57.0 pttt -142.15 164.97 28.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.711 -0.618 . . . . 0.0 110.403 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.7 m -64.3 -28.33 69.64 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.795 -0.565 . . . . 0.0 110.889 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB3' ' HE3' ' A' ' 80' ' ' LYS . . . -62.96 -33.75 76.03 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.454 -0.779 . . . . 0.0 110.636 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.67 145.12 52.63 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.646 -0.659 . . . . 0.0 110.159 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 86' ' ' SER . 22.7 m -91.99 131.45 37.28 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.711 -0.618 . . . . 0.0 110.148 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -67.65 -38.79 84.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.652 -0.655 . . . . 0.0 110.41 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 84' ' ' THR . 49.4 m -119.05 152.93 35.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.66 -0.65 . . . . 0.0 110.325 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.1 t -70.16 149.2 47.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.691 -0.63 . . . . 0.0 110.21 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -64.4 -41.1 96.83 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.656 -0.652 . . . . 0.0 110.411 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -133.1 153.37 51.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.713 -0.617 . . . . 0.0 110.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -98.6 136.47 38.64 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.687 -0.633 . . . . 0.0 110.046 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -67.43 -47.08 71.26 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.708 -0.62 . . . . 0.0 110.363 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.3 p -155.8 164.19 38.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 110.284 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 90.3 mtp -125.97 143.46 51.09 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.679 -0.638 . . . . 0.0 110.118 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -97.96 132.9 43.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.675 -0.64 . . . . 0.0 110.158 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.1 t -138.04 121.76 17.51 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.703 -0.623 . . . . 0.0 110.17 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -143.35 -63.06 0.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.631 -0.668 . . . . 0.0 110.273 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -107.86 149.61 28.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.664 -0.647 . . . . 0.0 110.118 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 55.41 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.668 -0.645 . . . . 0.0 110.864 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -98.83 130.55 45.26 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.648 -0.658 . . . . 0.0 110.23 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -96.57 151.57 19.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.71 -0.619 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.38 130.52 49.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.215 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.51 155.15 40.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.724 -0.61 . . . . 0.0 110.167 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.14 136.92 39.3 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.641 -0.662 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -128.85 125.67 38.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.79 -0.569 . . . . 0.0 110.453 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.0 mt -102.97 133.65 47.72 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -122.8 142.98 50.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.641 . . . . 0.0 110.209 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -160.07 -61.37 0.06 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.673 -0.642 . . . . 0.0 110.149 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -87.68 -31.95 19.47 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.652 -0.655 . . . . 0.0 110.457 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.13 116.51 27.45 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.651 -0.655 . . . . 0.0 110.141 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -124.21 145.29 49.44 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.761 -0.587 . . . . 0.0 110.191 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -96.75 141.37 30.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.696 -0.628 . . . . 0.0 110.138 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -101.2 114.85 29.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.755 -0.59 . . . . 0.0 110.159 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.21 145.72 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.618 -0.676 . . . . 0.0 110.272 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.51 -36.66 71.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.682 -0.636 . . . . 0.0 110.198 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -107.28 153.13 23.17 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.63 -0.668 . . . . 0.0 110.255 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -96.98 146.03 25.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.68 -0.637 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -128.64 166.65 18.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 110.281 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -111.95 146.16 38.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.705 -0.622 . . . . 0.0 110.21 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.4 -33.11 74.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.741 -0.599 . . . . 0.0 110.314 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 53.22 39.72 30.14 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.575 -0.703 . . . . 0.0 110.896 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.184 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.82 145.52 29.98 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.889 . . . . 0.0 110.184 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.0 mmm -118.47 149.87 40.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.703 -0.623 . . . . 0.0 110.191 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 83.44 -164.81 42.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mmm -116.44 152.6 33.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.645 -0.915 . . . . 0.0 110.106 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -121.79 147.71 45.6 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.721 -0.612 . . . . 0.0 110.305 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.0 -31.75 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.696 -0.627 . . . . 0.0 109.935 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -30.01 70.44 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.694 -0.629 . . . . 0.0 110.362 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -73.61 -33.29 64.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.726 -0.608 . . . . 0.0 110.169 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.11 144.82 51.96 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.723 -0.611 . . . . 0.0 109.763 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 24' ' ' VAL . . . 79.91 6.41 89.12 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -87.11 156.07 19.87 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.185 -1.186 . . . . 0.0 110.158 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -96.96 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.707 -0.621 . . . . 0.0 110.129 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.27 163.23 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -118.68 146.04 45.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.541 -0.724 . . . . 0.0 109.247 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -133.57 142.71 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 109.648 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.64 136.04 37.73 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.43 169.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -82.84 176.98 8.88 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.984 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.54 -21.89 41.1 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.723 -0.611 . . . . 0.0 111.516 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -102.63 27.41 6.94 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.406 -0.809 . . . . 0.0 111.16 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.7 26.06 14.14 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.149 -0.97 . . . . 0.0 110.902 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -97.69 134.94 40.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.4 mtmm -109.7 138.34 46.22 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.436 -171.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 145.76 34.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.768 -0.583 . . . . 0.0 110.083 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.6 ptt180 -138.03 148.14 44.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.603 -0.686 . . . . 0.0 110.67 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.77 -173.65 45.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.201 -1.559 . . . . 0.0 109.201 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -91.83 139.57 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.564 -0.962 . . . . 0.0 109.766 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 89.6 mt -81.9 135.19 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.632 -0.667 . . . . 0.0 109.944 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.0 p -125.23 -36.2 2.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.616 -0.678 . . . . 0.0 111.845 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 35' ' ' LEU . 25.5 t30 -140.98 155.12 46.28 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.944 -1.098 . . . . 0.0 111.247 -171.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -149.14 140.54 23.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.915 -0.491 . . . . 0.0 109.695 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -122.08 121.39 36.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.742 -0.599 . . . . 0.0 109.81 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -73.23 -29.88 63.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.755 -0.591 . . . . 0.0 110.698 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -64.73 -43.59 92.88 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.583 -0.698 . . . . 0.0 110.787 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -124.06 6.94 8.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.515 -0.74 . . . . 0.0 111.471 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m 51.38 67.01 1.02 Allowed 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.209 -0.932 . . . . 0.0 111.07 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.036 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -120.86 131.95 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 25' ' ' ILE . 8.8 tp -118.84 129.25 55.12 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.668 -0.645 . . . . 0.0 110.163 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -96.97 129.57 44.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.713 -0.617 . . . . 0.0 109.696 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -110.87 119.98 40.87 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.821 -0.549 . . . . 0.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.1 ttt180 -95.64 123.91 39.42 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.805 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 22' ' ' ARG . 21.5 tp -102.03 151.74 21.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.718 -0.614 . . . . 0.0 110.83 -174.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.43 -5.98 12.94 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.89 -0.506 . . . . 0.0 111.92 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.81 28.14 0.92 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.119 -0.988 . . . . 0.0 110.924 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 t70 60.95 27.63 17.48 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.978 -1.076 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 m -121.15 143.99 48.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.411 -0.806 . . . . 0.0 110.171 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -126.67 144.6 50.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.721 -0.612 . . . . 0.0 110.061 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -143.98 140.66 29.75 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.693 -0.63 . . . . 0.0 110.361 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.2 p -101.21 123.2 44.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.739 -0.601 . . . . 0.0 110.031 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.25 130.92 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 109.356 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.036 HG22 HD12 ' A' ' 34' ' ' ILE . 26.8 t -73.31 138.42 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.646 -0.659 . . . . 0.0 109.403 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 p -73.96 -24.85 59.68 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.613 -0.679 . . . . 0.0 111.357 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -61.15 -25.12 66.78 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.21 -0.931 . . . . 0.0 110.833 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.51 11.39 17.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.384 -0.823 . . . . 0.0 111.268 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.8 mt -72.39 112.94 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 173.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -80.56 -39.77 27.08 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.169 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 m-20 -153.12 145.83 24.31 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.907 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -126.97 144.26 51.06 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.709 -0.619 . . . . 0.0 110.983 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -149.08 159.06 44.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.77 -0.581 . . . . 0.0 110.022 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 11' ' ' VAL . 79.9 mt -110.3 129.99 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.595 -0.691 . . . . 0.0 109.339 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 22' ' ' ARG . 45.3 mt -75.03 161.02 79.18 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.659 -0.651 . . . . 0.0 110.164 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -60.63 139.56 86.45 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 O-C-N 123.599 1.315 . . . . 0.0 110.857 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -150.95 -60.02 0.18 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.799 -0.563 . . . . 0.0 110.057 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -112.79 159.3 19.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.722 -0.611 . . . . 0.0 110.095 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -94.47 126.9 40.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.658 . . . . 0.0 110.148 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.09 137.2 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.664 -0.648 . . . . 0.0 110.138 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -73.66 152.94 89.5 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 121.721 -0.612 . . . . 0.0 110.379 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -68.15 135.07 33.42 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 O-C-N 123.595 1.313 . . . . 0.0 110.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -99.6 -63.43 1.13 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.701 -0.624 . . . . 0.0 110.249 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -88.18 -33.16 18.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.657 -0.652 . . . . 0.0 110.342 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 65.6 1.45 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -65.42 -35.78 81.96 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.61 -0.935 . . . . 0.0 110.407 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -64.2 -41.57 97.02 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.711 -0.618 . . . . 0.0 110.494 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.7 m -149.25 154.19 38.6 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.645 -0.66 . . . . 0.0 110.273 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.75 -33.24 35.29 Favored 'Trans proline' 0 N--CA 1.489 1.238 0 O-C-N 123.568 1.299 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -123.52 148.94 45.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.621 -0.674 . . . . 0.0 110.24 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 74' ' ' THR . 4.8 t -135.57 92.12 2.8 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.644 -0.66 . . . . 0.0 110.358 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -101.77 33.02 3.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.587 -0.696 . . . . 0.0 110.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 t -91.01 160.08 15.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.647 -0.658 . . . . 0.0 110.093 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.6 m -68.8 131.52 45.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.659 -0.65 . . . . 0.0 110.094 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HB3' HD12 ' A' ' 79' ' ' LEU . 22.2 tptp -65.76 -42.37 90.97 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.652 -0.655 . . . . 0.0 110.311 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 mp -106.55 136.11 46.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.662 -0.648 . . . . 0.0 110.244 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -113.24 130.83 56.12 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.712 -0.618 . . . . 0.0 110.194 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.0 p -68.12 -32.1 72.15 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.704 -0.622 . . . . 0.0 110.303 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.68 75.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.683 -0.636 . . . . 0.0 110.398 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 51.9 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.58 -0.7 . . . . 0.0 111.065 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 m -66.84 -37.72 85.01 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.703 -0.623 . . . . 0.0 110.344 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.54 133.49 55.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 0.0 110.317 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -122.57 148.62 45.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.704 -0.623 . . . . 0.0 110.164 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 t -117.79 141.27 48.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.699 -0.625 . . . . 0.0 110.198 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.3 tttp 52.96 84.67 0.05 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.562 -0.711 . . . . 0.0 110.971 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.37 -65.24 1.03 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.085 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -118.66 147.56 43.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.657 -0.652 . . . . 0.0 110.154 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -100.01 32.23 3.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.727 -0.608 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.4 m -122.3 149.92 43.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.614 -0.679 . . . . 0.0 110.167 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 49.1 ttm -93.26 116.56 29.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.698 -0.626 . . . . 0.0 110.136 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.43 155.86 18.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.683 -0.636 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 t -107.61 127.55 53.75 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.711 -0.618 . . . . 0.0 110.166 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -88.29 118.95 28.25 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.696 -0.628 . . . . 0.0 110.111 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.84 143.78 33.51 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.717 -0.614 . . . . 0.0 110.225 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 59.05 155.86 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.797 -0.564 . . . . 0.0 111.067 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -91.29 -39.47 12.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 0.0 110.211 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.05 134.71 33.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.667 . . . . 0.0 110.236 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.19 161.31 23.43 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.753 -0.592 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.23 143.99 31.32 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.642 -0.661 . . . . 0.0 110.361 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.01 153.92 40.6 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.781 -0.575 . . . . 0.0 110.145 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -114.98 29.62 7.91 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.626 -0.671 . . . . 0.0 110.585 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.09 138.3 44.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.61 -0.681 . . . . 0.0 110.163 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -156.6 -61.03 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.652 -0.655 . . . . 0.0 110.183 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.9 mttp 52.7 33.91 14.93 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.577 -0.702 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -108.27 137.33 46.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.693 -0.63 . . . . 0.0 110.22 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.27 115.0 22.24 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.635 -0.666 . . . . 0.0 110.002 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -102.29 137.83 40.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.713 -0.617 . . . . 0.0 110.281 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.488 ' HB3' HG13 ' A' ' 113' ' ' VAL . 79.2 mttt -65.7 -32.34 73.84 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.658 -0.651 . . . . 0.0 110.354 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 52.98 33.82 15.57 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.544 -0.722 . . . . 0.0 110.951 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 114' ' ' PHE . 35.7 m -80.59 -26.9 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.66 -0.65 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 113' ' ' VAL . 35.2 m-85 -126.11 153.2 44.87 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.438 -0.788 . . . . 0.0 110.212 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -110.18 98.19 7.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.686 -0.634 . . . . 0.0 110.17 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.04 143.46 46.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.625 -0.672 . . . . 0.0 110.256 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -124.76 158.48 33.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.756 -0.59 . . . . 0.0 110.174 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -114.09 127.79 56.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.634 -0.666 . . . . 0.0 110.203 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.756 -0.59 . . . . 0.0 110.194 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -121.63 135.98 54.96 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.714 -0.616 . . . . 0.0 110.249 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.131 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.41 -33.78 75.88 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.699 -0.883 . . . . 0.0 110.284 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.19 -35.75 82.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.622 -0.674 . . . . 0.0 110.378 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.82 -66.49 2.43 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.27 154.56 27.75 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.685 -0.891 . . . . 0.0 110.179 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 m -122.25 151.9 40.59 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.711 -0.618 . . . . 0.0 110.251 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.55 -31.48 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.653 -0.655 . . . . 0.0 110.025 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.57 69.9 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.658 -0.651 . . . . 0.0 110.705 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.71 -38.7 92.11 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.581 -0.699 . . . . 0.0 110.467 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.52 -34.01 71.82 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.653 -0.655 . . . . 0.0 110.092 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.55 134.75 51.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.728 -0.608 . . . . 0.0 109.914 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.0 5.08 89.72 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -87.31 144.15 26.92 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.196 -1.179 . . . . 0.0 110.089 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -91.62 114.79 27.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.93 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 57' ' ' ILE . 27.2 m -131.2 161.31 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.65 146.12 44.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.59 -0.694 . . . . 0.0 109.56 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.873 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -132.91 143.45 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 109.74 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.744 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.83 136.14 37.8 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.294 168.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.36 178.42 8.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.989 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -57.35 -22.43 42.34 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.776 -0.577 . . . . 0.0 111.563 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -100.27 24.66 8.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.522 -0.736 . . . . 0.0 111.196 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.86 25.8 12.48 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.29 -0.882 . . . . 0.0 110.683 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -96.19 133.06 40.96 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.744 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.3 mtmm -109.68 135.88 49.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.545 -0.722 . . . . 0.0 110.477 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.07 151.95 42.86 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.854 -0.529 . . . . 0.0 109.944 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -136.08 158.38 44.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.468 -0.77 . . . . 0.0 110.165 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.43 48.44 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.96 127.84 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.705 -0.88 . . . . 0.0 109.487 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 35' ' ' LEU . 82.1 mt -66.22 137.31 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.684 -0.635 . . . . 0.0 110.256 -175.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.9 p -125.07 -35.97 2.59 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.776 -0.578 . . . . 0.0 111.433 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -139.75 151.32 45.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -149.14 135.44 19.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.932 -0.48 . . . . 0.0 109.734 174.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -122.03 118.84 29.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.789 -0.57 . . . . 0.0 110.034 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -67.68 -30.18 69.65 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.796 -0.565 . . . . 0.0 110.719 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.9 m -61.13 -49.87 75.5 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.541 -0.724 . . . . 0.0 110.83 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.502 ' OD1' HD11 ' A' ' 34' ' ' ILE . 6.2 t-20 -124.06 15.82 9.21 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.553 -0.717 . . . . 0.0 111.258 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 p 46.65 67.0 0.84 Allowed 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.653 -0.655 . . . . 0.0 111.663 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.007 HD12 HG22 ' A' ' 48' ' ' VAL . 44.3 mm -115.01 130.27 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 109.597 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 25' ' ' ILE . 9.7 tp -121.74 125.64 47.05 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.804 -0.56 . . . . 0.0 110.337 -174.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -96.98 127.37 42.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.799 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' ILE . 55.4 mt -110.94 119.97 40.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.785 -0.572 . . . . 0.0 109.935 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.1 ttt-85 -101.3 120.67 40.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.682 -0.636 . . . . 0.0 109.94 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD13 ' HA2' ' A' ' 23' ' ' GLY . 62.1 tp -102.07 154.58 18.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.73 -0.606 . . . . 0.0 110.568 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.65 -0.31 6.67 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.867 -0.521 . . . . 0.0 112.148 -171.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -88.05 26.64 1.33 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.975 -1.078 . . . . 0.0 110.741 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.52 27.79 17.22 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.091 -1.006 . . . . 0.0 110.465 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -121.94 140.1 52.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.474 -0.766 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.2 144.66 51.29 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.777 -0.577 . . . . 0.0 110.034 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 47' ' ' ILE . 54.1 tttm -143.84 136.44 27.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 0.0 110.399 -177.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.8 p -96.74 120.55 37.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.892 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD11 ' HD3' ' A' ' 45' ' ' LYS . 82.1 mt -127.88 129.93 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.461 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.007 HG22 HD12 ' A' ' 34' ' ' ILE . 30.2 t -72.3 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.649 -0.657 . . . . 0.0 109.243 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 70.6 p -65.35 -24.64 67.3 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.552 -0.718 . . . . 0.0 111.294 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -58.58 -26.11 63.27 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.235 -0.916 . . . . 0.0 110.89 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -88.5 12.32 14.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.769 . . . . 0.0 111.307 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.873 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.2 mt -77.86 112.89 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.149 -0.969 . . . . 0.0 109.68 172.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -84.99 -35.56 21.89 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.525 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.9 m-20 -152.48 146.72 25.5 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.933 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 52' ' ' ILE . 15.1 mt -128.42 144.25 51.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.863 -177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -147.42 159.05 44.15 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.76 -0.588 . . . . 0.0 109.888 171.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.521 HG12 HG12 ' A' ' 11' ' ' VAL . 72.1 mt -113.18 129.99 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.601 -0.687 . . . . 0.0 109.32 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.57 139.95 35.82 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 110.025 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.09 -34.75 16.09 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 O-C-N 123.488 1.257 . . . . 0.0 110.323 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 52.86 31.43 10.68 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.603 -0.686 . . . . 0.0 110.858 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -122.78 118.22 27.5 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.578 -0.701 . . . . 0.0 110.293 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -161.36 33.34 0.14 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.65 -0.657 . . . . 0.0 110.327 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.4 -37.15 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.675 -0.64 . . . . 0.0 109.807 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 mtt -114.41 155.97 45.12 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.648 -0.658 . . . . 0.0 110.361 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.14 164.74 32.78 Favored 'Trans proline' 0 N--CA 1.487 1.111 0 O-C-N 123.697 1.367 . . . . 0.0 110.344 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 53.22 94.33 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.594 -0.691 . . . . 0.0 111.047 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.14 124.78 42.85 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.683 -0.636 . . . . 0.0 110.171 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.37 -47.64 0.09 OUTLIER Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -112.48 140.97 46.77 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.748 -0.854 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.06 -37.7 88.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.707 -0.621 . . . . 0.0 110.453 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -158.32 91.15 2.15 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.728 -0.608 . . . . 0.0 110.224 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.4 95.12 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.267 0 O-C-N 123.499 1.263 . . . . 0.0 110.508 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -126.72 152.02 47.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.704 -0.622 . . . . 0.0 110.281 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.0 p -104.03 161.28 14.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.658 -0.651 . . . . 0.0 110.11 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -100.29 30.05 4.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.693 -0.629 . . . . 0.0 110.511 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -133.45 33.37 3.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.298 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -122.42 139.66 53.6 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.659 -0.651 . . . . 0.0 110.137 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -93.39 135.71 34.36 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.71 -0.619 . . . . 0.0 110.111 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 79' ' ' LEU . 4.6 mm? -93.87 101.19 13.27 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.723 -0.611 . . . . 0.0 110.109 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.36 -33.9 77.05 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.727 -0.608 . . . . 0.0 110.322 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.4 m -63.91 -34.5 78.09 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.665 -0.647 . . . . 0.0 110.458 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.14 76.41 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.75 -0.594 . . . . 0.0 110.322 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.83 -33.57 75.89 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 110.353 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 m -90.61 134.23 34.54 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 0.0 110.222 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -70.16 -32.19 70.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.718 -0.614 . . . . 0.0 110.525 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.6 m -66.1 154.47 39.53 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.589 -0.694 . . . . 0.0 110.418 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -132.46 146.28 51.82 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.256 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -90.14 -70.11 0.69 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.632 -0.668 . . . . 0.0 110.281 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -134.12 28.92 3.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.632 -0.668 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -103.36 -40.37 6.41 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.548 -0.72 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -114.66 157.91 22.48 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.268 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.0 m -98.03 152.13 19.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 110.189 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.58 -35.04 79.69 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.684 -0.635 . . . . 0.0 110.441 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -87.74 132.97 33.95 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.715 -0.615 . . . . 0.0 110.168 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.7 t -159.66 -60.32 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.616 -0.678 . . . . 0.0 110.194 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -142.05 -54.22 0.44 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.714 -0.617 . . . . 0.0 110.206 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -107.93 146.41 32.44 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.642 -0.661 . . . . 0.0 110.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -94.82 141.52 28.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.644 -0.66 . . . . 0.0 110.097 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -99.87 152.77 19.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.686 -0.634 . . . . 0.0 110.07 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.04 -35.65 77.48 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.602 -0.686 . . . . 0.0 110.673 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.7 128.48 46.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.644 -0.66 . . . . 0.0 110.13 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.69 -34.47 6.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.649 -0.657 . . . . 0.0 110.228 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 52.2 29.04 6.09 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.609 -0.682 . . . . 0.0 111.103 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -115.31 153.62 30.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.691 -0.631 . . . . 0.0 110.066 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.26 -39.48 92.69 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.689 -0.632 . . . . 0.0 110.241 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 51.99 -173.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.539 -0.726 . . . . 0.0 111.101 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -123.61 129.76 51.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.657 -0.652 . . . . 0.0 110.19 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.63 154.89 38.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.708 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -96.31 157.84 15.71 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.666 -0.646 . . . . 0.0 110.152 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 113' ' ' VAL . 51.3 mttp -84.34 146.83 27.51 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.735 -0.603 . . . . 0.0 110.14 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -86.62 -31.49 21.1 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.713 -0.617 . . . . 0.0 110.44 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.5 -32.5 73.43 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.627 -0.671 . . . . 0.0 110.886 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 110' ' ' LYS . 34.3 m -65.59 -32.3 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.638 -0.664 . . . . 0.0 110.673 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -68.4 -41.89 79.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.589 -0.695 . . . . 0.0 110.387 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -103.36 129.63 50.47 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.588 -0.695 . . . . 0.0 110.322 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.15 -32.4 73.48 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.681 -0.637 . . . . 0.0 110.428 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -101.92 135.58 43.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.639 -0.663 . . . . 0.0 110.261 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -98.05 132.35 43.67 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.646 -0.659 . . . . 0.0 110.23 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -114.0 135.78 53.62 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.662 -0.649 . . . . 0.0 110.08 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.18 -39.17 92.52 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.606 -0.684 . . . . 0.0 110.332 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.507 2.378 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.943 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 52.81 -175.85 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.578 -0.954 . . . . 0.0 111.123 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.1 mtt -106.65 32.14 4.75 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.02 91.86 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm -108.9 142.18 39.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.747 -0.854 . . . . 0.0 110.137 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -118.17 145.55 44.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.655 -0.653 . . . . 0.0 110.363 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.404 HG12 ' CD1' ' A' ' 7' ' ' TYR . 59.3 t -67.98 -29.08 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.783 -0.573 . . . . 0.0 110.127 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.72 69.71 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.502 -0.749 . . . . 0.0 110.739 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.19 -39.85 94.86 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.631 -0.668 . . . . 0.0 110.32 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -83.44 -31.36 26.64 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.708 -0.62 . . . . 0.0 110.334 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' CD1' HG12 ' A' ' 3' ' ' VAL . 2.1 m-85 -66.33 134.29 52.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.652 -0.655 . . . . 0.0 110.132 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.7 3.98 90.47 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -87.12 144.72 26.74 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.211 -1.17 . . . . 0.0 110.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.02 114.92 27.19 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 25' ' ' ILE . 32.4 m -131.09 162.62 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.864 -0.523 . . . . 0.0 109.673 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.5 141.6 48.4 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.679 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.831 ' CG2' HG23 ' A' ' 52' ' ' ILE . 7.5 p -129.63 133.67 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.707 -0.621 . . . . 0.0 109.518 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -89.74 136.01 33.29 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.673 174.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.16 176.14 8.98 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.04 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -58.05 -22.2 49.01 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.731 -0.606 . . . . 0.0 111.52 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.99 25.58 7.24 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -0.772 . . . . 0.0 111.277 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.88 25.84 14.14 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.197 -0.939 . . . . 0.0 110.9 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -100.11 132.91 45.19 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 168.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.699 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.96 139.78 44.68 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.364 -171.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.95 144.7 33.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.748 -0.595 . . . . 0.0 110.042 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 39' ' ' LEU . 15.4 ptp180 -131.62 150.29 52.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.583 -0.698 . . . . 0.0 110.273 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.87 -171.93 44.12 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.17 130.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.675 -0.897 . . . . 0.0 109.705 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 11' ' ' VAL . 85.4 mt -73.01 140.37 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.538 -0.727 . . . . 0.0 110.014 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.721 HG21 ' HG3' ' A' ' 38' ' ' ARG . 37.0 p -125.18 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.652 -0.655 . . . . 0.0 111.549 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.28 147.42 45.66 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.137 -0.977 . . . . 0.0 111.074 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -149.1 127.68 12.38 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.13 127.01 49.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.65 -0.656 . . . . 0.0 109.879 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -75.16 -32.24 61.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.791 -0.568 . . . . 0.0 110.748 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -37.39 87.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.527 -0.733 . . . . 0.0 110.755 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -124.09 -0.0 8.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.645 -0.659 . . . . 0.0 111.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m 50.92 66.88 1.04 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.165 -0.959 . . . . 0.0 110.877 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.8 mm -120.37 137.47 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.623 -0.673 . . . . 0.0 109.775 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 25' ' ' ILE . 10.5 tp -124.35 125.77 44.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.68 -0.637 . . . . 0.0 110.273 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -101.57 128.85 47.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.788 -0.57 . . . . 0.0 109.892 174.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.98 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.914 -0.491 . . . . 0.0 110.06 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.721 ' HG3' HG21 ' A' ' 26' ' ' THR . 58.0 mtt-85 -96.35 125.42 40.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.604 -0.685 . . . . 0.0 109.92 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.7 tp -102.11 148.35 25.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.724 -0.61 . . . . 0.0 110.792 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -9.81 16.45 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.807 -0.558 . . . . 0.0 111.881 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.21 30.68 0.67 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.152 -0.967 . . . . 0.0 111.014 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 60.47 27.44 17.07 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.961 -1.087 . . . . 0.0 110.511 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -120.08 142.3 49.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.431 -0.793 . . . . 0.0 110.15 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.92 144.47 51.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.668 -0.645 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 47' ' ' ILE . 40.9 tttp -144.03 132.54 22.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.709 -0.62 . . . . 0.0 110.247 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.6 p -102.1 120.98 41.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.675 -0.64 . . . . 0.0 109.93 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HD3' ' A' ' 45' ' ' LYS . 80.0 mt -129.18 136.9 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 109.333 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 38.0 t -77.91 136.09 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.446 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -63.61 -24.49 67.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.596 -0.69 . . . . 0.0 111.357 -172.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -58.19 -25.0 61.04 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.806 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.72 10.01 19.69 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.486 -0.759 . . . . 0.0 111.401 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.831 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.7 mt -75.45 112.99 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.181 -0.949 . . . . 0.0 109.776 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -80.94 -40.29 24.76 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.114 171.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -152.62 143.43 22.89 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.869 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -122.06 144.19 49.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.771 -0.58 . . . . 0.0 110.679 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.441 HH21 HD21 ' A' ' 58' ' ' LEU . 13.7 ptt180 -146.77 154.65 41.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 169.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.479 HG12 HG12 ' A' ' 11' ' ' VAL . 69.0 mt -115.08 130.06 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.61 -0.681 . . . . 0.0 109.599 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD21 HH21 ' A' ' 56' ' ' ARG . 47.2 mt -79.66 148.07 68.56 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.884 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -70.61 -54.62 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.034 0 O-C-N 123.501 1.263 . . . . 0.0 110.205 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.45 154.58 51.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.711 -0.618 . . . . 0.0 110.149 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.31 117.82 31.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.678 -0.638 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -100.53 133.77 44.49 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.591 -0.693 . . . . 0.0 110.201 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.4 mt -120.73 138.02 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.716 -0.615 . . . . 0.0 109.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.1 159.73 56.33 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.715 -0.615 . . . . 0.0 110.047 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -67.14 110.15 1.91 Allowed 'Trans proline' 0 N--CA 1.488 1.201 0 O-C-N 123.735 1.387 . . . . 0.0 110.39 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.57 150.54 50.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.709 -0.62 . . . . 0.0 110.195 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -87.32 158.21 19.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.768 -0.583 . . . . 0.0 110.198 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.7 14.47 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 m -62.96 -33.65 75.82 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.488 -1.007 . . . . 0.0 110.491 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -82.94 129.86 35.07 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.686 -0.634 . . . . 0.0 110.088 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.404 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -86.69 -50.03 0.47 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.727 -0.608 . . . . 0.0 110.935 -179.287 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 71' ' ' SER . 23.5 Cg_exo -60.18 -29.77 89.79 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 O-C-N 123.082 1.043 . . . . 0.0 111.022 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.2 m -64.16 -33.76 76.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.643 -0.661 . . . . 0.0 110.625 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 p -121.2 168.44 11.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.572 -0.705 . . . . 0.0 110.255 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.41 112.14 24.74 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.705 -0.622 . . . . 0.0 110.151 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.7 p -144.28 157.6 44.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.736 -0.602 . . . . 0.0 110.195 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -119.49 29.4 7.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.679 -0.638 . . . . 0.0 110.525 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.0 115.79 31.3 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.533 -0.729 . . . . 0.0 110.184 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 mp -76.21 -32.17 58.81 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.745 -0.597 . . . . 0.0 110.475 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -61.3 -37.34 82.86 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.593 -0.692 . . . . 0.0 110.681 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.4 p -68.17 -32.47 72.75 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.655 -0.653 . . . . 0.0 110.276 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.07 73.79 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.731 -0.606 . . . . 0.0 110.433 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 56.8 -81.79 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.933 -0.48 . . . . 0.0 111.302 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -82.4 132.97 35.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.204 -0.935 . . . . 0.0 110.04 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -66.14 -40.17 90.42 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.682 -0.636 . . . . 0.0 110.214 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 p -146.18 -68.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.076 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.3 p -160.98 157.53 26.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.619 -0.676 . . . . 0.0 110.231 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 53.02 93.06 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.624 -0.673 . . . . 0.0 111.095 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.74 -34.9 79.42 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.665 -0.647 . . . . 0.0 110.399 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -104.21 147.47 27.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.637 -0.664 . . . . 0.0 110.208 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -66.53 -41.99 87.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.693 -0.629 . . . . 0.0 110.259 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.5 t -161.39 -65.21 0.06 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.687 -0.633 . . . . 0.0 110.227 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.5 ttm -154.57 131.29 10.72 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.619 -0.676 . . . . 0.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -95.63 132.95 40.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.715 -0.616 . . . . 0.0 110.206 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 6.0 t -159.71 -46.6 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.648 -0.657 . . . . 0.0 110.215 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -65.76 -38.33 88.8 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.706 -0.621 . . . . 0.0 110.397 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' OE1' ' HB1' ' A' ' 103' ' ' ALA . 81.2 mt-10 -118.23 143.93 46.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 110.165 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -69.1 -42.51 76.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.737 -0.602 . . . . 0.0 110.288 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -114.59 130.89 56.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.593 -0.692 . . . . 0.0 110.292 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.95 -36.29 77.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.636 -0.665 . . . . 0.0 110.239 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -67.35 -40.88 85.89 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.78 -0.575 . . . . 0.0 110.416 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.97 141.54 35.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.677 -0.64 . . . . 0.0 110.3 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.559 ' HB1' ' OE1' ' A' ' 97' ' ' GLU . . . -152.4 123.87 7.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.673 -0.642 . . . . 0.0 110.166 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -65.24 -37.48 87.38 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.682 -0.636 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.5 tp -107.65 131.54 54.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.765 -0.585 . . . . 0.0 110.075 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -95.99 135.96 37.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 110.157 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -104.22 30.02 5.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.692 -0.63 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 51.95 90.08 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.55 -0.719 . . . . 0.0 111.016 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -133.52 30.99 3.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.658 -0.651 . . . . 0.0 110.431 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -137.24 106.0 5.89 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.684 -0.635 . . . . 0.0 110.15 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.2 127.44 21.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.652 -0.655 . . . . 0.0 110.111 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -106.38 114.99 29.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.718 -0.614 . . . . 0.0 110.084 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.82 139.86 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.754 -0.591 . . . . 0.0 109.777 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -114.76 152.55 31.88 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.697 -0.627 . . . . 0.0 110.112 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -94.22 129.34 40.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.652 . . . . 0.0 110.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -113.18 132.18 55.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.633 -0.667 . . . . 0.0 110.164 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.94 31.8 5.04 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.721 -0.612 . . . . 0.0 110.392 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -63.87 -37.56 87.85 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.594 -0.691 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -107.93 152.55 24.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.698 -0.626 . . . . 0.0 110.206 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -96.32 145.42 25.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.749 -0.594 . . . . 0.0 110.175 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.204 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.89 69.92 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.679 -0.895 . . . . 0.0 110.534 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.8 mtp -61.94 -35.63 78.99 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.725 . . . . 0.0 110.498 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -90.79 142.65 16.3 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt -123.01 145.24 48.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.679 -0.895 . . . . 0.0 110.191 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -126.82 151.9 47.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.685 -0.634 . . . . 0.0 110.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.42 -31.44 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.723 -0.611 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.04 -30.35 70.91 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.568 -0.708 . . . . 0.0 110.647 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.5 -40.24 95.29 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.623 -0.673 . . . . 0.0 110.442 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -77.02 -30.66 55.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.683 -0.636 . . . . 0.0 110.345 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.63 130.39 43.02 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.575 -0.703 . . . . 0.0 110.092 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.22 -1.97 88.4 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.08 142.23 28.08 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.202 -1.175 . . . . 0.0 110.078 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.52 114.93 27.41 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.617 -0.677 . . . . 0.0 109.961 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 25' ' ' ILE . 28.5 m -129.16 161.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.847 -0.533 . . . . 0.0 109.627 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -118.67 146.08 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 109.471 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.851 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -134.63 142.78 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.645 -0.659 . . . . 0.0 109.935 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.91 136.06 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.395 168.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 51' ' ' ASP . 85.8 mt -87.26 173.71 9.03 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.938 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -59.12 -14.93 11.68 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.846 -0.534 . . . . 0.0 111.907 -175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -95.92 22.76 7.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.275 -0.89 . . . . 0.0 111.023 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.87 25.98 12.72 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.323 -0.861 . . . . 0.0 110.748 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -103.34 145.88 29.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.538 -0.726 . . . . 0.0 109.304 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 14' ' ' LEU . 24.9 pttt -109.95 142.22 41.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.489 -0.757 . . . . 0.0 110.823 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.59 39.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.769 -0.582 . . . . 0.0 109.838 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.8 ptt85 -136.95 144.61 43.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.536 -0.728 . . . . 0.0 110.709 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -174.39 46.53 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -89.66 142.55 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.643 -0.916 . . . . 0.0 109.695 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 11' ' ' VAL . 81.8 mt -83.1 139.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.654 -0.654 . . . . 0.0 109.967 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' ' 38' ' ' ARG . 38.8 p -125.07 -36.07 2.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.641 -0.662 . . . . 0.0 111.516 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -136.49 145.94 45.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.136 -0.977 . . . . 0.0 111.041 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -149.08 128.52 13.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.791 -0.568 . . . . 0.0 109.612 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -122.1 120.03 33.07 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.65 -0.656 . . . . 0.0 109.868 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -67.93 -30.87 70.29 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.836 -0.54 . . . . 0.0 110.815 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -61.08 -53.41 57.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.469 -0.769 . . . . 0.0 110.851 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -114.24 6.23 16.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.684 -0.635 . . . . 0.0 111.396 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m 51.55 67.06 1.02 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.233 -0.917 . . . . 0.0 110.905 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -114.8 134.93 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.533 -0.729 . . . . 0.0 109.696 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -126.38 124.82 41.07 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.718 -0.614 . . . . 0.0 110.369 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -102.17 129.57 48.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.782 -0.574 . . . . 0.0 109.779 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.95 121.71 46.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.844 -0.535 . . . . 0.0 110.009 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.682 ' HB2' HG21 ' A' ' 26' ' ' THR . 29.3 ttm180 -97.51 123.85 41.53 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.724 -0.61 . . . . 0.0 109.783 176.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.9 tp -102.14 149.93 23.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.665 -0.647 . . . . 0.0 110.781 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -9.51 13.97 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.934 -0.479 . . . . 0.0 111.798 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.59 31.0 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.036 -1.04 . . . . 0.0 110.997 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.95 29.27 17.39 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.021 -1.05 . . . . 0.0 110.379 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -121.73 141.7 50.92 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.539 -0.726 . . . . 0.0 110.097 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -128.27 144.06 51.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.682 -0.636 . . . . 0.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.54 142.04 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.655 -0.653 . . . . 0.0 110.614 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -108.83 119.19 38.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.811 -0.556 . . . . 0.0 109.952 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -130.08 131.54 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 109.484 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 34' ' ' ILE . 39.5 t -72.14 137.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -62.32 -24.42 67.31 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.593 -0.692 . . . . 0.0 111.404 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -57.13 -25.0 58.12 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.311 -0.868 . . . . 0.0 110.845 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 15' ' ' LEU . 4.6 p30 -87.58 9.81 19.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.508 -0.745 . . . . 0.0 111.377 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.851 HG23 ' CG2' ' A' ' 13' ' ' VAL . 89.7 mt -78.77 113.0 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.94 -40.08 28.87 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.987 171.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.77 148.72 26.66 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.603 -0.685 . . . . 0.0 110.933 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 52' ' ' ILE . 15.2 mt -127.08 144.17 51.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.705 -0.622 . . . . 0.0 111.023 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -146.96 159.04 44.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.666 -0.646 . . . . 0.0 109.946 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.529 HG12 HG12 ' A' ' 11' ' ' VAL . 75.9 mt -113.95 130.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.568 -0.708 . . . . 0.0 109.212 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.03 148.24 53.14 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.602 -0.686 . . . . 0.0 110.065 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -71.0 172.21 14.29 Favored 'Trans proline' 0 N--CA 1.487 1.135 0 O-C-N 123.634 1.334 . . . . 0.0 110.342 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -69.33 137.6 53.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.69 -0.631 . . . . 0.0 109.993 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -95.49 128.79 42.63 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.711 -0.618 . . . . 0.0 110.298 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -99.99 30.57 3.67 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.781 -0.574 . . . . 0.0 110.358 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.4 mm 53.6 89.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.372 -0.83 . . . . 0.0 110.538 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.6 tpp -96.06 138.43 21.64 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.606 -0.684 . . . . 0.0 109.918 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -64.36 -31.96 61.7 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 O-C-N 123.394 1.208 . . . . 0.0 110.651 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -106.06 122.68 46.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.531 -0.731 . . . . 0.0 110.243 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -66.64 -37.33 84.61 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.51 177.8 41.48 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.463 HG22 ' O ' ' A' ' 69' ' ' THR . 19.3 m -152.63 33.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.768 -0.842 . . . . 0.0 110.26 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.668 -0.645 . . . . 0.0 110.39 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.4 p -161.31 89.4 1.57 Allowed Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.588 -0.695 . . . . 0.0 110.234 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -68.08 134.7 32.5 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 O-C-N 123.544 1.286 . . . . 0.0 110.331 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -161.39 -63.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.673 -0.642 . . . . 0.0 110.256 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -67.35 -35.42 79.35 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.599 -0.688 . . . . 0.0 110.217 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -98.91 129.72 45.26 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.678 -0.639 . . . . 0.0 110.208 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -147.88 167.3 25.16 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.753 -0.592 . . . . 0.0 110.176 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 p -85.53 104.01 14.91 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.739 -0.6 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -138.08 142.12 40.25 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.717 -0.615 . . . . 0.0 110.116 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.13 136.38 33.08 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.741 -0.6 . . . . 0.0 110.082 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -102.73 129.87 49.49 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.672 -0.642 . . . . 0.0 110.275 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.8 p -68.43 -30.13 68.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.686 -0.634 . . . . 0.0 110.419 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.91 73.17 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.573 -0.705 . . . . 0.0 110.467 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.84 132.43 37.0 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.697 -0.627 . . . . 0.0 110.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.9 p -129.52 161.79 29.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.711 -0.618 . . . . 0.0 110.215 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -160.43 33.01 0.16 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.736 -0.602 . . . . 0.0 110.31 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -157.07 33.96 0.29 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.688 -0.632 . . . . 0.0 110.274 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -125.85 156.31 39.79 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.625 -0.672 . . . . 0.0 110.218 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -123.13 131.93 53.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.732 -0.605 . . . . 0.0 110.155 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -106.59 114.08 27.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.722 -0.611 . . . . 0.0 110.229 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -101.98 30.09 4.64 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.73 -0.606 . . . . 0.0 110.419 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -100.77 118.91 37.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.586 -0.696 . . . . 0.0 110.212 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -129.7 150.08 51.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.689 -0.632 . . . . 0.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.8 mmt -125.46 155.67 40.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.613 -0.679 . . . . 0.0 110.263 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -91.07 132.96 35.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -106.28 157.68 17.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.699 -0.625 . . . . 0.0 110.164 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.1 -38.3 90.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.665 -0.647 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -117.06 137.21 52.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.682 -0.636 . . . . 0.0 110.205 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.18 -41.26 77.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.645 -0.659 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -114.79 130.66 56.89 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.237 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -91.61 118.17 30.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.721 -0.612 . . . . 0.0 110.161 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -160.5 34.01 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 0.0 110.193 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.22 148.58 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.714 -0.617 . . . . 0.0 110.177 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.22 144.78 27.96 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.719 -0.613 . . . . 0.0 110.151 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -64.82 -35.58 81.58 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.685 -0.634 . . . . 0.0 110.425 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.7 138.79 36.28 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.724 -0.61 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -111.06 144.2 40.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.655 -0.653 . . . . 0.0 110.149 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -141.18 -169.57 2.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.693 -0.629 . . . . 0.0 110.405 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -104.88 141.98 35.57 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.722 -0.611 . . . . 0.0 110.225 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -82.19 125.58 31.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.7 -0.625 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -131.83 148.62 52.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.731 -0.606 . . . . 0.0 110.394 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -102.35 37.79 1.82 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.712 -0.617 . . . . 0.0 110.025 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 52.22 -172.78 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.502 -0.749 . . . . 0.0 111.004 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.37 30.38 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.69 -0.631 . . . . 0.0 110.476 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -101.74 130.49 48.15 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 110.207 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.5 138.19 43.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.725 -0.609 . . . . 0.0 110.187 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -106.73 135.41 48.32 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.671 -0.643 . . . . 0.0 110.054 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -108.52 98.97 8.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.653 -0.654 . . . . 0.0 110.198 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -142.68 132.77 24.49 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.662 -0.649 . . . . 0.0 110.11 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -69.26 -36.13 76.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.716 -0.615 . . . . 0.0 110.049 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.19 -34.42 78.0 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.709 -0.619 . . . . 0.0 110.308 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.234 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -144.51 156.05 43.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.645 -0.915 . . . . 0.0 110.18 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -118.43 153.37 34.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.705 -0.622 . . . . 0.0 110.195 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 164.48 -126.32 1.49 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpp -95.6 127.58 41.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.709 -0.877 . . . . 0.0 110.153 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -122.7 152.3 40.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.651 -0.656 . . . . 0.0 110.365 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.53 -31.17 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.801 -0.562 . . . . 0.0 110.031 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.49 69.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.611 -0.681 . . . . 0.0 110.653 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.94 -39.43 94.14 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.514 -0.741 . . . . 0.0 110.254 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.65 -32.27 69.5 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.696 -0.628 . . . . 0.0 110.07 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.84 132.22 48.17 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.663 -0.648 . . . . 0.0 110.026 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.4 2.35 90.59 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.27 146.41 25.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.157 -1.202 . . . . 0.0 110.044 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.519 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.7 m120 -91.87 114.85 27.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.585 -0.697 . . . . 0.0 109.916 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.598 HG12 HG12 ' A' ' 57' ' ' ILE . 31.3 m -130.51 158.75 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -118.65 144.21 46.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.556 -0.715 . . . . 0.0 109.188 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.8 p -132.87 141.02 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.618 -0.676 . . . . 0.0 109.714 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.703 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.36 136.06 36.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.036 -1.065 . . . . 0.0 109.479 170.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.62 176.06 8.84 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.94 -21.22 42.92 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -102.28 31.28 4.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.0 110.686 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 52.84 27.03 5.01 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.751 -0.593 . . . . 0.0 111.201 167.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -102.65 132.9 48.45 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.703 ' HG2' HD22 ' A' ' 14' ' ' LEU . 44.0 mttt -109.8 137.23 47.89 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.394 -168.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 152.84 43.71 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.81 -0.556 . . . . 0.0 110.092 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.42 160.18 39.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.561 -0.712 . . . . 0.0 110.067 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.64 -173.53 45.85 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.5 t -94.57 129.43 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.597 -0.943 . . . . 0.0 109.39 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 HG21 ' A' ' 11' ' ' VAL . 82.9 mt -67.21 137.6 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.653 -0.654 . . . . 0.0 110.058 -177.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.706 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.1 p -125.1 -36.13 2.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.764 -0.585 . . . . 0.0 111.463 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -138.26 147.8 44.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -149.11 130.86 15.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.813 -0.555 . . . . 0.0 109.671 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.02 122.16 38.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.697 -0.627 . . . . 0.0 110.029 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.86 -26.06 63.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 110.82 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -49.06 78.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.412 -0.805 . . . . 0.0 110.777 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 9.99 8.78 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.599 -0.688 . . . . 0.0 111.267 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 51.14 67.03 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.249 -0.907 . . . . 0.0 110.992 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.071 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.73 131.83 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.555 -0.716 . . . . 0.0 109.713 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 tp -122.96 124.6 43.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.722 -0.611 . . . . 0.0 110.307 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -99.19 128.79 45.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.805 -0.559 . . . . 0.0 109.773 173.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.94 120.57 42.82 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.79 -0.569 . . . . 0.0 109.934 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.706 ' HB2' HG21 ' A' ' 26' ' ' THR . 69.2 ttp85 -103.17 121.42 42.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.705 -0.622 . . . . 0.0 109.946 178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD13 ' HA2' ' A' ' 23' ' ' GLY . 60.4 tp -102.05 153.82 19.55 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.68 -174.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.36 -6.52 10.31 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.955 -0.465 . . . . 0.0 112.054 -171.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -86.4 30.66 0.69 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.018 -1.051 . . . . 0.0 110.87 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.92 29.04 17.0 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.154 -0.966 . . . . 0.0 110.444 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -122.49 138.02 54.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.502 -0.749 . . . . 0.0 110.012 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -130.1 144.63 51.45 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.683 -0.636 . . . . 0.0 110.154 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -140.76 142.07 34.78 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.631 -0.668 . . . . 0.0 110.603 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -103.43 119.46 38.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.796 -0.565 . . . . 0.0 109.916 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.91 129.74 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.449 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.071 HG22 HD12 ' A' ' 34' ' ' ILE . 38.5 t -71.7 136.66 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.3 p -62.07 -24.58 67.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.629 -0.669 . . . . 0.0 111.323 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.12 -25.69 64.07 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.323 -0.861 . . . . 0.0 110.833 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.17 10.85 17.99 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 111.26 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.3 mt -76.71 112.9 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.149 -0.97 . . . . 0.0 109.818 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -81.46 -39.14 25.29 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.044 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.1 m-20 -153.6 146.06 24.05 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.598 -0.689 . . . . 0.0 110.853 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 52' ' ' ILE . 14.1 mt -126.05 144.26 50.79 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.761 -0.587 . . . . 0.0 110.871 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -148.37 159.01 44.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.66 -0.65 . . . . 0.0 110.141 172.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.598 HG12 HG12 ' A' ' 11' ' ' VAL . 80.4 mt -114.79 129.94 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.598 -0.689 . . . . 0.0 109.261 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.42 146.6 98.77 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 121.576 -0.703 . . . . 0.0 110.185 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -69.04 136.48 35.01 Favored 'Trans proline' 0 N--CA 1.488 1.185 0 O-C-N 123.621 1.327 . . . . 0.0 110.439 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -66.32 -34.33 77.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.758 -0.588 . . . . 0.0 110.239 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -92.26 164.81 13.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.736 -0.602 . . . . 0.0 110.293 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -65.62 -32.94 74.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.647 -0.658 . . . . 0.0 110.48 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 pt -120.51 159.96 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.655 -0.653 . . . . 0.0 110.307 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.6 mtm -95.8 153.91 39.2 Favored Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 121.699 -0.626 . . . . 0.0 110.177 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.27 146.48 69.56 Favored 'Trans proline' 0 N--CA 1.487 1.109 0 O-C-N 123.595 1.313 . . . . 0.0 110.384 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -132.92 122.44 24.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.632 -0.667 . . . . 0.0 109.999 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -144.19 167.47 22.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.729 -0.607 . . . . 0.0 110.313 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.52 69.51 0.27 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 t -115.57 33.22 5.59 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.685 -0.891 . . . . 0.0 110.368 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.64 -33.51 75.78 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.699 -0.625 . . . . 0.0 110.441 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -112.51 166.7 10.46 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.611 -0.681 . . . . 0.0 110.206 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.22 146.19 85.87 Favored 'Trans proline' 0 N--CA 1.488 1.174 0 O-C-N 123.647 1.341 . . . . 0.0 110.483 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.6 p -145.25 173.09 12.26 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.727 -0.608 . . . . 0.0 110.302 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 t -123.46 165.19 17.49 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.788 -0.57 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.41 45.82 27.56 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.574 -0.704 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.2 p -64.34 -30.68 71.72 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.533 -0.729 . . . . 0.0 110.585 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 p -100.99 147.75 25.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.597 -0.689 . . . . 0.0 110.175 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -136.0 151.29 49.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.734 -0.604 . . . . 0.0 110.208 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -96.86 126.52 42.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.687 -0.633 . . . . 0.0 110.006 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -99.66 29.11 4.26 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.703 -0.623 . . . . 0.0 110.661 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -67.71 -36.38 80.52 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.1 75.58 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.725 -0.609 . . . . 0.0 110.337 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.07 142.07 36.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.643 -0.661 . . . . 0.0 110.499 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 t -140.82 33.41 1.79 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.662 -0.649 . . . . 0.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -116.41 158.02 24.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.656 -0.652 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -110.95 145.2 38.78 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.73 -0.606 . . . . 0.0 110.256 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.5 m -66.39 -33.79 76.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.76 -0.588 . . . . 0.0 110.486 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -93.5 136.88 33.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 110.333 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -112.38 136.81 51.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.691 -0.631 . . . . 0.0 110.075 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -98.94 24.76 7.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.649 -0.657 . . . . 0.0 110.859 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -68.58 -42.22 78.57 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.445 -0.784 . . . . 0.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.2 t -158.17 133.05 8.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.619 -0.676 . . . . 0.0 110.211 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.7 mtp -97.82 -67.02 0.87 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.687 -0.633 . . . . 0.0 110.242 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -109.02 155.61 20.7 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.253 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.4 m -118.71 128.77 54.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.753 -0.592 . . . . 0.0 110.086 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -108.51 166.39 10.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.728 -0.608 . . . . 0.0 110.426 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -110.06 159.66 17.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.679 -0.638 . . . . 0.0 110.097 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -95.35 145.55 25.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.677 -0.64 . . . . 0.0 110.243 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 152.84 35.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.732 -0.605 . . . . 0.0 110.18 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.3 114.96 25.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.626 -0.671 . . . . 0.0 110.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -141.64 -61.8 0.46 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.645 -0.659 . . . . 0.0 110.263 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.62 31.18 6.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.734 -0.604 . . . . 0.0 110.447 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.75 22.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.668 . . . . 0.0 110.192 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -144.73 108.46 4.68 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.661 -0.649 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 105' ' ' LEU . 8.8 tt -64.94 -39.1 92.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.681 -0.637 . . . . 0.0 110.217 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 52.57 92.27 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.667 -0.646 . . . . 0.0 110.942 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -98.41 133.94 42.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.633 -0.667 . . . . 0.0 110.157 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.28 122.88 44.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.653 -0.654 . . . . 0.0 110.122 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.39 114.78 27.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.72 -0.612 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -121.3 118.53 29.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.721 -0.612 . . . . 0.0 110.143 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -92.41 -40.77 10.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.716 -0.615 . . . . 0.0 110.207 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -125.24 147.19 49.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.675 -0.641 . . . . 0.0 110.103 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.61 143.57 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.712 -0.617 . . . . 0.0 110.258 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -151.15 160.1 44.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.715 -0.615 . . . . 0.0 110.305 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.57 132.71 50.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.663 -0.648 . . . . 0.0 110.087 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -68.73 -39.14 80.53 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.678 -0.638 . . . . 0.0 110.195 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -163.45 32.3 0.09 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.759 -0.588 . . . . 0.0 110.282 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -109.11 27.92 9.02 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.547 -0.72 . . . . 0.0 110.691 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.74 -40.26 84.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.488 -0.758 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -41.37 4.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.746 -0.596 . . . . 0.0 110.118 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.228 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -143.73 155.55 44.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.685 -0.891 . . . . 0.0 110.182 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.1 mtp -124.06 158.62 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.658 -0.651 . . . . 0.0 110.156 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -136.68 80.54 0.3 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -119.56 163.48 17.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.687 -0.89 . . . . 0.0 110.258 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -116.48 156.3 27.11 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.655 -0.653 . . . . 0.0 110.166 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.04 -32.14 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 121.703 -0.623 . . . . 0.0 110.111 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.14 70.23 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.557 -0.714 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -64.82 -39.4 93.52 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.631 -0.668 . . . . 0.0 110.378 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -69.55 -32.55 71.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.701 -0.624 . . . . 0.0 110.163 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -65.88 128.35 35.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.633 -0.667 . . . . 0.0 110.08 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.05 0.96 80.19 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 p -87.18 149.5 24.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.116 -1.226 . . . . 0.0 110.143 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -95.72 114.9 26.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.561 -0.712 . . . . 0.0 109.903 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 28.6 m -130.23 162.95 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.736 -0.602 . . . . 0.0 109.623 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 58' ' ' LEU . 47.1 tt0 -118.73 146.08 45.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.609 -0.682 . . . . 0.0 109.255 173.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.856 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.1 p -134.74 141.32 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.554 -0.716 . . . . 0.0 109.776 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -95.25 136.01 36.13 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.591 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 176.66 8.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.067 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.63 -22.07 43.34 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.686 -0.634 . . . . 0.0 111.535 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -98.77 24.45 7.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.107 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.73 25.95 12.46 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -96.25 133.0 41.13 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 170.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HG2' HD22 ' A' ' 14' ' ' LEU . 38.8 mttt -109.77 137.03 48.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.537 -0.727 . . . . 0.0 110.374 -170.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.45 36.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.833 -0.542 . . . . 0.0 109.997 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.549 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.7 ptt85 -138.58 150.97 46.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.626 -0.671 . . . . 0.0 110.636 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -172.82 45.13 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.15 136.07 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.635 -0.92 . . . . 0.0 109.618 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 91.3 mt -77.13 138.6 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.604 -0.685 . . . . 0.0 110.044 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.1 p -125.11 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.687 -0.633 . . . . 0.0 111.563 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -137.88 149.03 45.92 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.104 -0.997 . . . . 0.0 111.136 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -149.16 132.16 16.22 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.03 119.35 31.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.706 -0.621 . . . . 0.0 110.039 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -68.82 -26.44 65.17 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.75 -0.593 . . . . 0.0 110.756 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 t -61.23 -51.75 67.68 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.42 -0.8 . . . . 0.0 110.79 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -124.0 16.47 9.27 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.568 -0.708 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 p 46.93 67.0 0.86 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.639 -0.663 . . . . 0.0 111.547 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -113.94 132.06 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.476 -0.765 . . . . 0.0 109.684 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HG23 ' A' ' 25' ' ' ILE . 10.6 tp -122.76 125.3 45.22 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.215 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.93 129.12 45.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.741 -0.599 . . . . 0.0 109.792 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 25' ' ' ILE . 58.8 mt -110.94 120.01 40.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.781 -0.574 . . . . 0.0 109.941 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.699 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.0 ttt85 -96.4 124.06 40.26 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.753 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.7 tp -102.11 149.57 24.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.68 -0.638 . . . . 0.0 110.786 -173.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -9.57 14.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.95 -0.469 . . . . 0.0 111.871 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.79 30.94 0.62 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.072 -1.017 . . . . 0.0 110.985 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.01 29.37 17.61 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.042 -1.036 . . . . 0.0 110.413 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -121.32 141.46 50.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.458 -0.776 . . . . 0.0 110.106 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -127.85 144.41 51.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.712 -0.617 . . . . 0.0 110.207 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -143.96 142.05 30.52 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.639 -0.663 . . . . 0.0 110.572 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.5 p -106.83 121.07 43.67 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.802 -0.561 . . . . 0.0 109.955 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.12 130.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.635 -0.665 . . . . 0.0 109.428 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.022 HG22 HD12 ' A' ' 34' ' ' ILE . 34.9 t -72.72 136.63 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.26 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 69.5 p -64.57 -24.55 67.63 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.594 -0.691 . . . . 0.0 111.494 -172.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -57.75 -25.06 59.91 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.0 110.955 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.4 9.6 20.13 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.321 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.856 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.9 mt -77.13 112.91 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.14 -0.975 . . . . 0.0 109.839 174.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -81.21 -40.29 24.08 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.087 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 64.7 m-20 -152.18 143.9 23.6 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.863 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 52' ' ' ILE . 14.2 mt -123.86 144.2 49.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.73 -0.606 . . . . 0.0 110.827 -177.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -147.82 158.99 44.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 110.082 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.483 HG12 HG12 ' A' ' 11' ' ' VAL . 78.8 mt -112.4 130.04 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.655 -0.653 . . . . 0.0 109.294 175.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 12' ' ' GLU . 43.6 mt -85.5 148.57 49.68 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 121.662 -0.649 . . . . 0.0 110.078 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 58' ' ' LEU . 16.6 Cg_exo -63.64 142.63 84.5 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 O-C-N 123.457 1.241 . . . . 0.0 110.513 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -138.04 127.99 25.58 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.753 -0.592 . . . . 0.0 110.274 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 53.61 44.82 29.24 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.667 -0.646 . . . . 0.0 111.055 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.04 131.29 36.22 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.623 -0.673 . . . . 0.0 110.036 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.32 -48.53 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.696 -0.628 . . . . 0.0 109.814 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.24 154.68 93.73 Favored Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.711 -0.618 . . . . 0.0 110.428 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -67.21 145.67 73.38 Favored 'Trans proline' 0 N--CA 1.488 1.156 0 O-C-N 123.588 1.309 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -93.64 127.55 39.38 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.697 -0.627 . . . . 0.0 110.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t30 53.07 40.38 31.11 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.546 -0.721 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.0 -62.2 1.38 Allowed Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.6 m -119.53 137.75 53.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.712 -0.875 . . . . 0.0 110.087 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -64.41 -33.48 75.96 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.653 -0.654 . . . . 0.0 110.538 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 m -111.91 91.64 15.83 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.733 -0.604 . . . . 0.0 110.24 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.09 -29.82 56.25 Favored 'Trans proline' 0 N--CA 1.489 1.236 0 O-C-N 123.466 1.245 . . . . 0.0 110.626 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -115.16 149.74 37.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.588 -0.695 . . . . 0.0 110.137 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -111.5 140.35 46.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.623 -0.673 . . . . 0.0 110.159 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -99.7 30.14 3.78 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.697 -0.627 . . . . 0.0 110.43 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -152.73 57.63 0.8 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.613 -0.679 . . . . 0.0 110.021 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.5 t -133.21 163.86 28.36 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.513 -0.742 . . . . 0.0 110.404 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -87.21 -170.3 2.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.752 -0.592 . . . . 0.0 110.141 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.34 -39.65 93.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.561 -0.712 . . . . 0.0 110.409 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.0 pttt 36.72 41.14 0.16 Allowed 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -64.7 -33.71 76.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.665 . . . . 0.0 110.431 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.0 64.85 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.728 -0.608 . . . . 0.0 110.051 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.29 -34.1 72.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.697 -0.627 . . . . 0.0 110.133 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 m -89.82 145.34 25.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.124 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -109.75 140.97 43.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.643 -0.66 . . . . 0.0 110.241 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 t -110.17 149.43 30.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.684 -0.635 . . . . 0.0 110.091 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.6 m -109.87 144.4 38.39 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.668 -0.645 . . . . 0.0 110.303 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -159.91 36.0 0.18 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.711 -0.618 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -72.33 166.25 22.86 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.714 -0.616 . . . . 0.0 110.303 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -104.34 164.73 11.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.663 -0.648 . . . . 0.0 110.24 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -62.74 -31.21 72.09 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.614 -0.679 . . . . 0.0 110.665 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.6 p -68.12 164.57 20.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.641 -0.662 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 88.9 mmm 53.07 -179.53 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.657 -0.652 . . . . 0.0 111.188 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.99 159.35 22.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.619 -0.675 . . . . 0.0 110.386 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 92.5 m -112.47 -65.06 1.22 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.692 -0.63 . . . . 0.0 110.233 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -113.65 -36.82 4.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.675 -0.64 . . . . 0.0 110.084 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -120.89 157.93 28.75 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.695 -0.628 . . . . 0.0 110.099 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -89.93 123.63 34.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.631 -0.668 . . . . 0.0 110.189 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -77.6 -37.3 50.68 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.696 -0.628 . . . . 0.0 110.144 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t70 53.24 88.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 O-C-N 121.627 -0.67 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.568 -0.708 . . . . 0.0 110.285 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.5 149.32 28.41 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.687 -0.633 . . . . 0.0 110.159 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.09 141.29 22.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.677 -0.64 . . . . 0.0 110.266 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -140.66 165.76 26.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.736 -0.602 . . . . 0.0 110.178 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 105' ' ' LEU . 6.4 mp -96.75 107.18 19.6 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.664 -0.648 . . . . 0.0 110.146 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.97 -33.36 73.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.739 -0.601 . . . . 0.0 110.357 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -63.3 -41.92 98.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.622 -0.674 . . . . 0.0 110.574 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.47 123.87 50.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.681 -0.637 . . . . 0.0 110.232 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.73 -44.38 70.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.109 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.82 158.77 43.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.668 -0.645 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.27 128.93 56.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.692 -0.63 . . . . 0.0 110.195 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -124.12 98.89 5.98 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.753 -0.592 . . . . 0.0 110.128 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.7 135.81 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.72 -0.612 . . . . 0.0 109.798 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -102.58 129.82 49.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.699 -0.626 . . . . 0.0 110.125 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -105.4 -65.6 1.04 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.708 -0.62 . . . . 0.0 110.338 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -131.69 161.83 31.86 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.348 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -98.4 136.64 38.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.724 -0.61 . . . . 0.0 110.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -90.93 141.44 28.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.728 -0.608 . . . . 0.0 110.244 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -120.11 163.87 17.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.695 -0.628 . . . . 0.0 110.205 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -132.51 163.41 28.88 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.685 -0.634 . . . . 0.0 110.337 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.507 2.378 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.894 -179.263 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.18 74.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.564 -0.962 . . . . 0.0 110.251 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.5 mtp -122.24 159.49 27.21 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.734 -0.604 . . . . 0.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 85.44 -164.65 38.26 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm -99.04 137.22 37.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.716 -0.873 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -125.72 152.67 44.99 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.706 -0.621 . . . . 0.0 110.281 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.71 -31.14 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.691 -0.631 . . . . 0.0 109.959 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.95 -28.04 68.69 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.587 -0.696 . . . . 0.0 110.714 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -63.49 -39.24 93.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.606 -0.684 . . . . 0.0 110.327 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -70.99 -33.32 70.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.668 -0.645 . . . . 0.0 110.109 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -66.17 140.24 58.18 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.643 -0.66 . . . . 0.0 110.139 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.45 5.94 89.59 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 25' ' ' ILE . 86.4 p -87.3 141.34 28.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.187 -1.184 . . . . 0.0 110.298 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -87.01 114.91 24.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.6 -0.687 . . . . 0.0 109.774 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -130.36 162.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -118.6 143.44 46.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.8 p -131.5 142.4 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.566 -0.709 . . . . 0.0 110.011 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -97.52 136.08 38.44 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.566 169.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.53 177.0 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.044 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.9 -22.04 46.43 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.784 -0.572 . . . . 0.0 111.535 -176.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -100.75 26.48 6.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.762 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.93 25.9 14.29 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.303 -0.873 . . . . 0.0 110.946 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -100.31 137.63 38.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.708 ' HG2' HD22 ' A' ' 14' ' ' LEU . 41.5 mttt -109.63 142.75 40.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.511 -0.743 . . . . 0.0 110.417 -172.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.08 148.57 40.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.794 -0.567 . . . . 0.0 110.134 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -124.86 153.12 43.07 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.623 -0.673 . . . . 0.0 109.576 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.462 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.71 171.38 41.91 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.016 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.92 125.92 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.845 -0.797 . . . . 0.0 109.32 177.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 11' ' ' VAL . 89.0 mt -65.78 137.34 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.744 -0.597 . . . . 0.0 110.278 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.68 HG21 ' CG ' ' A' ' 38' ' ' ARG . 41.3 p -125.11 -36.21 2.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.844 -0.535 . . . . 0.0 111.311 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -136.97 147.89 46.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.207 -0.933 . . . . 0.0 111.049 -173.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.818 -0.551 . . . . 0.0 109.621 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.03 122.73 39.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.652 -0.655 . . . . 0.0 110.065 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.79 -25.42 62.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.832 -0.543 . . . . 0.0 110.825 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -61.14 -48.52 81.23 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.43 -0.794 . . . . 0.0 110.802 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.1 9.36 8.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.648 -0.657 . . . . 0.0 111.27 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 50.76 66.96 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.203 -0.936 . . . . 0.0 111.028 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.4 mm -114.75 132.87 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.571 -0.706 . . . . 0.0 109.719 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 HG23 ' A' ' 25' ' ' ILE . 11.2 tp -123.1 125.08 44.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.651 -0.656 . . . . 0.0 110.314 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.37 127.52 46.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.82 -0.55 . . . . 0.0 109.917 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -110.8 120.01 41.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.526 . . . . 0.0 109.864 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.68 ' CG ' HG21 ' A' ' 26' ' ' THR . 32.8 mtp85 -99.83 120.86 40.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.661 -0.649 . . . . 0.0 109.819 176.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD13 ' HA2' ' A' ' 23' ' ' GLY . 57.5 tp -102.13 151.06 22.62 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.625 -0.672 . . . . 0.0 110.629 -172.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 -7.4 11.78 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.854 -0.529 . . . . 0.0 112.128 -170.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -86.76 30.94 0.7 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.086 -1.009 . . . . 0.0 110.846 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.08 29.09 17.29 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.075 -1.016 . . . . 0.0 110.339 177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 m -120.34 139.65 52.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.539 -0.726 . . . . 0.0 110.065 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -127.56 142.36 51.39 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.725 -0.61 . . . . 0.0 110.135 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' HD11 ' A' ' 47' ' ' ILE . 79.5 tttt -143.98 132.92 22.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 110.43 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -98.25 121.95 40.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 0.0 109.938 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.7 mt -129.08 131.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.701 -0.624 . . . . 0.0 109.49 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.56 135.79 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 p -62.42 -24.67 67.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.614 -0.679 . . . . 0.0 111.406 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -58.26 -26.12 62.55 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.956 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 9.52 19.57 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.33 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.861 HG23 ' CG2' ' A' ' 13' ' ' VAL . 85.5 mt -77.94 112.98 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.168 -0.958 . . . . 0.0 109.75 174.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -82.25 -39.49 22.94 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.051 171.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.9 m-20 -151.95 145.31 24.76 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.848 -173.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 52' ' ' ILE . 14.3 mt -127.2 144.2 51.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.795 -0.565 . . . . 0.0 110.68 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -146.94 158.34 43.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.652 -0.655 . . . . 0.0 109.86 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 11' ' ' VAL . 75.7 mt -114.77 130.1 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.631 -0.668 . . . . 0.0 109.324 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt -88.28 120.91 70.63 Favored Pre-proline 0 N--CA 1.497 1.903 0 O-C-N 121.595 -0.691 . . . . 0.0 110.025 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.35 141.52 51.78 Favored 'Trans proline' 0 N--CA 1.488 1.151 0 O-C-N 123.289 1.152 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -66.36 -39.81 89.37 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.671 -0.643 . . . . 0.0 110.345 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -129.88 139.38 51.17 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.673 -0.642 . . . . 0.0 110.271 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 53.18 -161.46 0.11 Allowed 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.627 -0.671 . . . . 0.0 110.664 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 pt -118.05 160.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.516 -0.74 . . . . 0.0 110.265 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.6 ttm -95.24 124.9 52.21 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.711 -0.618 . . . . 0.0 110.142 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -68.18 -167.75 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.234 0 O-C-N 123.331 1.174 . . . . 0.0 110.25 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -88.63 144.69 26.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.654 -0.653 . . . . 0.0 110.176 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -104.03 136.0 44.49 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.729 -0.607 . . . . 0.0 110.181 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.28 -120.52 0.71 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -36.85 84.54 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.735 -0.862 . . . . 0.0 110.301 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -95.3 148.49 22.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.642 -0.661 . . . . 0.0 110.239 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 m -95.02 155.08 39.44 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.683 -0.636 . . . . 0.0 110.166 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -68.07 154.09 73.41 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 O-C-N 123.599 1.315 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -105.46 136.93 44.12 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.696 -0.627 . . . . 0.0 110.165 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 p -71.73 -34.64 69.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.765 -0.585 . . . . 0.0 110.196 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -119.82 112.45 19.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.659 -0.65 . . . . 0.0 110.239 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.8 m -125.97 140.77 52.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.621 -0.674 . . . . 0.0 110.148 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.426 HG22 ' HG3' ' A' ' 78' ' ' LYS . 24.2 m -132.98 132.47 41.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.621 -0.675 . . . . 0.0 110.191 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HG3' HG22 ' A' ' 77' ' ' THR . 64.5 mttm 53.31 40.72 31.73 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.614 -0.679 . . . . 0.0 110.991 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.44 121.27 39.15 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.633 -0.667 . . . . 0.0 110.147 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -142.86 138.49 30.31 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.632 -0.668 . . . . 0.0 110.122 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -66.11 -32.87 74.57 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.681 -0.637 . . . . 0.0 110.403 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.15 73.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.624 -0.673 . . . . 0.0 110.282 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -104.92 179.73 4.19 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.621 -0.675 . . . . 0.0 110.228 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 m 64.49 -67.95 0.11 Allowed 'General case' 0 N--CA 1.507 2.383 0 O-C-N 122.008 -0.433 . . . . 0.0 110.895 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -140.44 161.91 36.58 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.354 -0.841 . . . . 0.0 110.308 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -143.02 152.65 42.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.711 -0.618 . . . . 0.0 110.148 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.8 p -111.19 146.01 37.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.643 -0.661 . . . . 0.0 110.23 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -100.68 -36.23 9.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.8 -34.75 79.09 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.684 -0.635 . . . . 0.0 110.504 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -96.96 136.89 36.89 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.594 -0.692 . . . . 0.0 110.235 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -122.93 95.67 4.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.746 -0.596 . . . . 0.0 110.088 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.4 p -89.68 -32.11 17.19 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.684 -0.635 . . . . 0.0 110.525 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.0 mmm -120.69 149.29 42.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.637 -0.665 . . . . 0.0 110.256 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -94.24 132.89 38.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.742 -0.599 . . . . 0.0 110.155 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -160.6 33.6 0.16 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.669 -0.644 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -136.45 132.5 35.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.696 -0.627 . . . . 0.0 110.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -110.62 144.73 39.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.672 -0.642 . . . . 0.0 110.009 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -102.01 154.88 18.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.698 -0.626 . . . . 0.0 110.14 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -103.03 127.47 50.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.734 -0.604 . . . . 0.0 110.244 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -128.13 -38.69 1.78 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.706 -0.621 . . . . 0.0 110.62 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' O ' HD21 ' A' ' 105' ' ' LEU . 26.9 m-85 -99.52 131.14 45.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.482 -0.761 . . . . 0.0 110.227 177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.67 73.31 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.716 -0.615 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.07 176.05 5.28 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.2 t30 55.01 35.59 25.01 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.589 -0.694 . . . . 0.0 110.963 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 101' ' ' PHE . 84.9 mt -93.43 -57.52 2.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.613 -0.68 . . . . 0.0 110.142 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.5 -32.54 73.42 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.688 -0.633 . . . . 0.0 110.562 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.73 137.89 32.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.671 -0.643 . . . . 0.0 110.206 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.66 161.88 20.63 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.698 -0.626 . . . . 0.0 110.422 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.64 37.06 25.17 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.656 -0.653 . . . . 0.0 110.992 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -75.65 -51.58 12.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.227 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -100.45 140.91 34.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.719 -0.613 . . . . 0.0 110.296 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -137.8 166.18 24.64 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.661 -0.649 . . . . 0.0 110.252 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.47 141.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.721 -0.612 . . . . 0.0 109.588 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.33 129.45 42.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.616 -0.677 . . . . 0.0 110.36 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.0 163.44 39.29 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.778 -0.576 . . . . 0.0 110.055 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -89.72 122.08 32.49 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.611 -0.681 . . . . 0.0 110.003 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.85 135.07 54.02 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.712 -0.617 . . . . 0.0 110.244 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -66.79 -35.02 79.11 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.585 -0.697 . . . . 0.0 110.224 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 55.69 -84.28 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 122.026 -0.421 . . . . 0.0 111.3 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -112.82 145.28 40.91 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.241 -179.831 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 53.09 31.66 11.66 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.671 -0.9 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -63.16 -35.12 79.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.571 -0.706 . . . . 0.0 110.634 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.81 -47.05 0.01 OUTLIER Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mtm -97.77 -177.01 3.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.693 -0.887 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -109.92 152.59 25.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.654 -0.654 . . . . 0.0 110.361 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -66.2 -29.49 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.699 -0.625 . . . . 0.0 110.147 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -29.35 69.66 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.485 -0.759 . . . . 0.0 110.709 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -64.41 -38.35 90.72 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.562 -0.711 . . . . 0.0 110.305 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.81 -24.84 52.78 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.751 -0.593 . . . . 0.0 110.643 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.06 129.04 39.39 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.417 -0.802 . . . . 0.0 110.407 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.2 1.3 81.85 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.461 ' OG ' HD12 ' A' ' 25' ' ' ILE . 69.5 p -87.18 149.59 24.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.102 -1.234 . . . . 0.0 110.008 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.2 m120 -95.7 114.8 26.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.602 -0.686 . . . . 0.0 109.916 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 26.8 m -130.67 159.59 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.81 -0.556 . . . . 0.0 109.651 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -118.69 146.08 44.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.516 -0.74 . . . . 0.0 109.424 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.6 p -133.48 142.51 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.69 -0.631 . . . . 0.0 109.853 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.11 136.1 33.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.198 168.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.63 174.7 8.71 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.823 175.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.22 -20.76 29.12 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.716 -0.615 . . . . 0.0 111.589 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -94.57 23.28 5.43 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.393 -0.817 . . . . 0.0 110.984 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.31 26.16 13.64 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.341 -0.85 . . . . 0.0 110.739 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -100.66 144.05 30.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.495 -0.753 . . . . 0.0 109.179 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 14' ' ' LEU . 9.9 ptpp? -109.83 143.69 39.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.6 -0.688 . . . . 0.0 110.922 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.4 143.12 33.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.82 -0.55 . . . . 0.0 109.976 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.2 ptt85 -137.05 144.81 43.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.565 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -171.96 44.18 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.5 t -93.07 134.7 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 92.8 mt -75.07 139.54 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.611 -0.681 . . . . 0.0 110.031 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.711 HG21 ' HB2' ' A' ' 38' ' ' ARG . 33.8 p -125.16 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.616 -0.678 . . . . 0.0 111.522 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -137.45 147.63 45.49 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.206 -0.933 . . . . 0.0 111.073 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -149.1 129.84 14.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.862 -0.524 . . . . 0.0 109.608 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -122.05 122.3 38.96 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.632 -0.667 . . . . 0.0 109.998 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.78 -25.7 63.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.843 -0.536 . . . . 0.0 110.923 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -60.99 -49.42 77.5 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.762 . . . . 0.0 110.844 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.02 10.11 8.78 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.509 -0.744 . . . . 0.0 111.263 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m 51.15 67.02 1.01 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.239 -0.913 . . . . 0.0 110.989 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.065 HD12 HG22 ' A' ' 48' ' ' VAL . 44.5 mm -114.88 133.83 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.512 -0.743 . . . . 0.0 109.716 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -124.51 125.69 44.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.697 -0.627 . . . . 0.0 110.324 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -101.68 129.75 47.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.813 -0.554 . . . . 0.0 109.83 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.87 119.96 40.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.868 -0.52 . . . . 0.0 110.002 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HB2' HG21 ' A' ' 26' ' ' THR . 59.8 ttp180 -97.04 124.2 40.97 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.719 -0.613 . . . . 0.0 109.768 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.5 tp -102.03 145.74 28.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.733 -0.604 . . . . 0.0 110.841 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -10.31 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.92 -0.487 . . . . 0.0 111.78 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -86.26 30.89 0.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.143 -0.973 . . . . 0.0 111.044 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t70 61.09 27.56 17.37 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.0 m -119.7 140.09 51.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.398 -0.813 . . . . 0.0 110.036 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.24 144.05 51.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.632 -0.668 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -143.98 142.09 30.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.671 -0.643 . . . . 0.0 110.557 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -110.31 119.37 39.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.821 -0.549 . . . . 0.0 109.801 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.53 132.07 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.624 -0.672 . . . . 0.0 109.534 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.065 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.43 137.26 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.632 -0.668 . . . . 0.0 109.276 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.7 p -63.09 -24.64 68.0 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.576 -0.703 . . . . 0.0 111.376 -172.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -58.48 -25.11 61.95 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.324 -0.86 . . . . 0.0 110.866 -175.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.73 11.9 16.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.447 -0.783 . . . . 0.0 111.282 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 95.0 mt -77.73 112.91 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.23 -0.919 . . . . 0.0 109.705 172.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -80.6 -39.0 28.3 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.085 171.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.5 m-20 -153.65 150.92 29.1 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.787 -175.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -130.05 144.26 51.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.629 -0.669 . . . . 0.0 110.868 -176.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -148.21 159.05 44.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.689 -0.632 . . . . 0.0 109.968 172.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG12 HG12 ' A' ' 11' ' ' VAL . 81.1 mt -113.08 130.03 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.637 -0.664 . . . . 0.0 109.31 175.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.02 154.95 82.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.598 -0.689 . . . . 0.0 110.2 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 O-C-N 123.546 1.287 . . . . 0.0 110.783 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -98.61 -65.77 0.94 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.664 -0.647 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -80.91 -27.19 36.3 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.636 -0.665 . . . . 0.0 110.898 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.26 -31.33 71.89 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.489 -0.757 . . . . 0.0 110.585 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.5 mt -103.81 134.64 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.586 -0.697 . . . . 0.0 109.608 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.6 ttp -101.36 117.19 62.57 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.7 -0.625 . . . . 0.0 110.13 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.68 143.8 87.82 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 O-C-N 123.329 1.173 . . . . 0.0 110.581 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -65.05 -33.26 75.62 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.697 -0.627 . . . . 0.0 110.431 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -136.63 -172.09 3.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.698 . . . . 0.0 110.461 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.83 -165.35 29.43 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -116.96 140.12 49.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.971 . . . . 0.0 110.207 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -101.21 142.02 33.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.733 -0.605 . . . . 0.0 110.153 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.9 m -143.05 152.38 58.2 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.595 -0.691 . . . . 0.0 110.238 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -69.51 145.97 60.29 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 O-C-N 123.622 1.328 . . . . 0.0 110.272 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -132.14 128.67 38.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.685 -0.634 . . . . 0.0 110.251 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.2 p -147.19 31.03 0.93 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.708 -0.62 . . . . 0.0 110.323 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -119.95 33.33 5.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.568 -0.708 . . . . 0.0 110.293 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -109.77 148.92 30.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.6 -0.687 . . . . 0.0 110.152 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -125.94 139.24 53.61 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.744 -0.598 . . . . 0.0 110.216 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -120.33 145.43 47.12 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.787 -0.571 . . . . 0.0 110.199 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.94 117.78 33.05 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.646 -0.659 . . . . 0.0 109.993 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -139.97 158.56 43.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.716 -0.615 . . . . 0.0 110.149 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 t -63.74 -33.0 74.69 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.584 -0.697 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.76 74.21 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.648 -0.657 . . . . 0.0 110.332 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -99.51 151.93 20.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.587 -0.696 . . . . 0.0 110.11 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.1 p 44.4 82.65 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.56 0 CA-C-O 121.103 0.478 . . . . 0.0 111.662 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -65.98 -39.03 90.0 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.668 -0.645 . . . . 0.0 110.406 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.3 t -115.42 139.22 50.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.647 -0.658 . . . . 0.0 110.344 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.0 t -88.43 -28.45 20.89 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.745 -0.597 . . . . 0.0 110.458 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.04 -29.23 69.6 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.564 -0.71 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 54.28 50.02 17.28 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.499 -0.751 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.05 -31.15 70.81 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.525 -0.734 . . . . 0.0 110.637 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -85.73 151.61 23.71 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.625 -0.672 . . . . 0.0 110.281 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.4 p 50.25 53.87 12.11 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 121.237 0.541 . . . . 0.0 111.418 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.83 -66.05 0.96 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.547 -0.721 . . . . 0.0 110.097 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -108.93 132.97 53.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.624 -0.673 . . . . 0.0 110.17 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.9 m -135.34 115.0 12.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.631 . . . . 0.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -97.5 105.43 17.57 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.725 -0.61 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -133.06 145.96 51.25 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.729 -0.607 . . . . 0.0 110.095 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -122.28 128.25 50.86 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.623 -0.673 . . . . 0.0 110.161 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -111.88 129.66 56.09 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.686 -0.634 . . . . 0.0 110.234 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -103.76 153.21 20.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.695 -0.628 . . . . 0.0 110.204 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.29 131.47 48.86 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.677 -0.64 . . . . 0.0 110.179 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.94 143.94 32.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.678 -0.639 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.64 -57.96 0.57 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.744 -0.597 . . . . 0.0 110.18 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -66.1 -35.2 79.86 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.755 -0.59 . . . . 0.0 110.305 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.56 HD12 ' N ' ' A' ' 105' ' ' LEU . 6.3 mp -99.88 142.43 31.37 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.737 -0.602 . . . . 0.0 110.259 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -107.38 152.26 24.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.13 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.5 137.03 32.69 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.705 -0.622 . . . . 0.0 110.106 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.17 133.34 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.65 -0.656 . . . . 0.0 110.286 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -142.16 -47.01 0.35 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.696 -0.627 . . . . 0.0 110.209 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -85.52 154.36 21.82 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.67 -0.644 . . . . 0.0 110.106 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.53 -33.27 72.42 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.583 -0.698 . . . . 0.0 110.547 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 58.12 166.92 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.774 -0.579 . . . . 0.0 111.006 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.8 p -125.07 143.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.498 -0.752 . . . . 0.0 110.104 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.09 -32.3 73.65 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.735 -0.603 . . . . 0.0 110.873 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.16 68.63 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.567 -0.708 . . . . 0.0 110.881 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -119.63 141.82 48.98 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.162 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -146.2 159.02 43.89 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.67 -0.644 . . . . 0.0 110.34 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -138.9 32.11 2.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 110.327 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.87 -34.36 77.63 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.574 -0.704 . . . . 0.0 110.274 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -134.07 132.64 40.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.666 -0.646 . . . . 0.0 110.174 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.215 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.74 32.39 3.92 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.682 -0.893 . . . . 0.0 110.29 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.07 -35.14 80.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.57 -0.706 . . . . 0.0 110.347 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 77.7 33.54 42.15 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt -133.54 144.92 49.67 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.589 -0.948 . . . . 0.0 110.172 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -127.82 149.56 50.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.659 -0.651 . . . . 0.0 110.247 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.6 -30.31 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.689 -0.632 . . . . 0.0 110.075 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.28 68.97 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.495 -0.753 . . . . 0.0 110.766 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -63.79 -39.75 95.0 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.577 -0.702 . . . . 0.0 110.417 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -83.22 -30.42 27.72 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.751 -0.593 . . . . 0.0 110.394 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.02 132.76 48.55 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.545 -0.722 . . . . 0.0 110.166 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.81 -0.36 89.53 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -87.15 143.22 27.4 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.148 -1.207 . . . . 0.0 110.182 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -91.75 114.9 27.56 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.625 -0.672 . . . . 0.0 109.888 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 25' ' ' ILE . 27.2 m -130.93 162.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.735 -0.603 . . . . 0.0 109.693 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 58' ' ' LEU . 37.1 tt0 -118.65 146.07 44.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 0.0 109.439 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.0 p -133.74 143.39 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.612 -0.68 . . . . 0.0 109.702 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.749 HD22 ' CG ' ' A' ' 20' ' ' LYS . 2.5 mt -96.9 136.09 37.96 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.325 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.52 177.5 8.69 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.928 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -58.29 -21.47 49.08 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.72 -0.613 . . . . 0.0 111.53 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -103.08 27.47 7.12 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.444 -0.785 . . . . 0.0 111.11 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.66 26.01 14.02 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.29 -0.882 . . . . 0.0 110.87 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.43 133.06 42.52 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 169.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.749 ' CG ' HD22 ' A' ' 14' ' ' LEU . 1.9 mptt -109.79 137.25 47.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 0.0 110.642 -170.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.09 150.13 40.79 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 109.946 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' HD13 ' A' ' 39' ' ' LEU . 30.9 ptt180 -141.41 149.9 41.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.6 -0.687 . . . . 0.0 110.588 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -173.33 45.61 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -91.31 138.54 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.549 -0.971 . . . . 0.0 109.759 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 11' ' ' VAL . 83.8 mt -79.1 139.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.653 -0.654 . . . . 0.0 109.925 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.6 p -125.11 -36.04 2.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.706 -0.621 . . . . 0.0 111.484 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -138.16 148.77 45.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.129 -0.982 . . . . 0.0 111.121 -173.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -149.11 130.71 14.92 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -122.08 123.66 42.11 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.724 -0.61 . . . . 0.0 109.922 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -74.24 -29.17 61.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.826 -0.546 . . . . 0.0 110.789 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -63.82 -42.67 97.6 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.576 -0.702 . . . . 0.0 110.716 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -123.97 4.87 8.67 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.656 -0.652 . . . . 0.0 111.441 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 m 51.48 67.06 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.323 -0.861 . . . . 0.0 110.937 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.054 HD12 HG22 ' A' ' 48' ' ' VAL . 46.6 mm -117.68 134.76 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.578 -0.701 . . . . 0.0 109.626 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.39 122.78 37.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.811 -0.556 . . . . 0.0 110.211 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -96.99 128.67 44.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.765 -0.584 . . . . 0.0 109.824 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' ILE . 94.8 mt -110.85 119.98 40.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.877 -0.515 . . . . 0.0 109.855 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.4 ttt180 -98.7 124.67 43.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.768 -0.583 . . . . 0.0 109.782 177.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 22' ' ' ARG . 26.4 tp -102.04 148.91 24.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.655 . . . . 0.0 110.87 -174.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.42 -8.7 14.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.94 -0.475 . . . . 0.0 111.838 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -86.1 30.58 0.67 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.15 -0.969 . . . . 0.0 111.0 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 60.84 27.54 17.34 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.985 -1.072 . . . . 0.0 110.618 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -121.41 139.05 53.95 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.098 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -132.02 140.07 48.8 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 47' ' ' ILE . 38.4 ttpt -144.08 142.03 30.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.73 -0.606 . . . . 0.0 110.354 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -98.3 125.77 43.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.738 -0.601 . . . . 0.0 110.049 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.576 HD11 ' HE3' ' A' ' 45' ' ' LYS . 80.1 mt -129.15 133.45 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.64 -0.662 . . . . 0.0 109.494 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.054 HG22 HD12 ' A' ' 34' ' ' ILE . 40.6 t -77.93 137.0 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.629 -0.669 . . . . 0.0 109.276 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -64.21 -24.62 67.74 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.643 -0.66 . . . . 0.0 111.375 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -57.7 -25.23 60.01 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.211 -0.931 . . . . 0.0 111.062 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.98 9.17 20.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 111.328 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.9 112.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.161 -0.962 . . . . 0.0 109.843 174.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -85.03 -37.77 19.98 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.304 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-20 -150.13 145.75 26.5 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.926 -175.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -128.02 144.19 51.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.745 -0.597 . . . . 0.0 110.96 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -147.56 159.01 44.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.746 -0.596 . . . . 0.0 109.884 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.476 HG12 HG12 ' A' ' 11' ' ' VAL . 81.4 mt -113.48 130.06 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 109.427 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.9 mt -90.01 150.76 44.16 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.635 -0.666 . . . . 0.0 110.163 -173.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -71.0 -50.95 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 O-C-N 123.599 1.315 . . . . 0.0 110.198 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt 53.01 90.45 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.622 -0.674 . . . . 0.0 111.035 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -142.88 169.93 16.65 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.694 -0.629 . . . . 0.0 110.351 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -135.91 142.05 44.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.646 -0.659 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.9 tp -130.66 138.74 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.679 -0.638 . . . . 0.0 110.07 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 mmt -114.42 154.33 46.5 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.628 -0.67 . . . . 0.0 110.192 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.57 124.43 11.15 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.683 1.36 . . . . 0.0 110.218 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -67.56 -37.41 82.63 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.647 -0.658 . . . . 0.0 110.335 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -140.82 -178.47 5.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.698 -0.626 . . . . 0.0 110.248 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.66 -134.6 14.81 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -130.92 166.51 20.78 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.707 -0.878 . . . . 0.0 110.353 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -87.07 138.87 31.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.638 -0.664 . . . . 0.0 110.24 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -135.46 167.7 21.11 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.678 -0.639 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -64.32 146.39 89.92 Favored 'Trans proline' 0 N--CA 1.49 1.279 0 O-C-N 123.64 1.337 . . . . 0.0 110.419 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 m -116.31 151.19 36.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.639 -0.663 . . . . 0.0 110.301 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.9 m -94.02 141.46 28.5 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.689 -0.632 . . . . 0.0 110.152 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -137.52 -167.04 2.05 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.689 -0.632 . . . . 0.0 110.368 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.639 -0.663 . . . . 0.0 110.843 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.9 t -128.32 153.08 47.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.655 -0.653 . . . . 0.0 110.447 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -119.97 155.89 31.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.712 -0.618 . . . . 0.0 110.191 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -96.08 21.46 8.76 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.714 -0.616 . . . . 0.0 110.876 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.78 -33.28 75.6 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.316 -0.865 . . . . 0.0 110.371 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 m -62.59 -32.33 73.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.651 -0.656 . . . . 0.0 110.615 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.97 84.3 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.618 -0.676 . . . . 0.0 110.285 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -141.13 130.38 23.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.765 -0.584 . . . . 0.0 110.067 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 t -157.94 33.75 0.25 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.725 -0.609 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -113.89 105.79 13.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.657 -0.652 . . . . 0.0 110.182 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -162.74 110.58 1.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.652 -0.655 . . . . 0.0 110.165 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -146.48 152.69 39.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.64 -0.662 . . . . 0.0 110.263 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -100.07 -61.16 1.4 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -108.88 155.49 20.76 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.7 -0.625 . . . . 0.0 110.114 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.48 -36.21 83.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.637 -0.665 . . . . 0.0 110.43 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -112.92 131.93 55.53 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.738 -0.601 . . . . 0.0 110.167 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -154.63 33.93 0.41 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.674 -0.641 . . . . 0.0 110.315 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.7 mtm -112.12 149.75 31.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.201 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -90.81 141.6 28.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.685 -0.635 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.92 36.24 1.73 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.702 -0.624 . . . . 0.0 110.339 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 52.4 -175.84 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.476 -0.765 . . . . 0.0 111.125 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -112.54 151.65 29.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.629 -0.669 . . . . 0.0 110.169 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.57 -36.05 82.98 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.607 -0.683 . . . . 0.0 110.347 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.25 131.63 53.26 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.163 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -129.26 118.35 22.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.719 -0.613 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -104.23 130.03 52.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.629 . . . . 0.0 110.12 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.55 -64.0 1.08 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.685 -0.635 . . . . 0.0 110.284 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HB1' ' HG3' ' A' ' 106' ' ' GLU . . . -152.56 156.57 39.59 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.615 -0.678 . . . . 0.0 110.273 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -66.31 -46.18 77.81 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.681 -0.637 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 tp -166.48 32.74 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.73 -0.606 . . . . 0.0 110.228 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG3' ' HB1' ' A' ' 103' ' ' ALA . 77.2 mt-10 -66.87 -33.61 75.98 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.544 -0.723 . . . . 0.0 110.397 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -128.63 132.6 48.13 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.63 -0.669 . . . . 0.0 110.084 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -154.12 35.4 0.43 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 110.386 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.28 -33.6 76.37 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.516 -0.74 . . . . 0.0 110.353 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -80.15 126.36 31.0 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.732 -0.605 . . . . 0.0 110.122 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -116.62 144.49 44.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.679 -0.638 . . . . 0.0 110.304 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -113.29 142.94 45.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.693 -0.629 . . . . 0.0 110.021 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.55 156.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.667 -0.646 . . . . 0.0 110.283 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -67.45 -34.09 76.49 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.729 -0.607 . . . . 0.0 110.239 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 53.21 31.01 10.78 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.616 -0.678 . . . . 0.0 111.08 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -110.82 134.87 52.16 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.639 -0.663 . . . . 0.0 110.068 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -124.37 -45.33 1.96 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -125.93 137.17 53.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.7 -0.625 . . . . 0.0 110.178 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -88.17 -47.77 8.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.675 -0.641 . . . . 0.0 110.221 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 53.16 42.44 32.16 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.593 -0.692 . . . . 0.0 110.86 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.373 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.62 149.72 25.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.633 -0.922 . . . . 0.0 110.145 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 53.8 ttp -65.2 -35.34 80.76 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.63 -0.669 . . . . 0.0 110.356 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 166.91 -161.26 35.09 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -90.52 148.6 22.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.76 -0.847 . . . . 0.0 110.093 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -118.22 150.2 39.81 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.611 -0.681 . . . . 0.0 110.412 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.3 -30.33 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.734 -0.604 . . . . 0.0 110.07 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.56 68.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.49 -0.756 . . . . 0.0 110.746 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.44 -38.64 91.91 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 25' ' ' ILE . 96.8 m-85 -69.19 -33.06 72.76 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.613 -0.679 . . . . 0.0 110.103 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 125.5 24.22 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.664 -0.648 . . . . 0.0 110.024 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.41 0.95 90.28 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -87.15 148.75 25.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -1.199 . . . . 0.0 110.021 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -93.29 114.89 27.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.549 -0.719 . . . . 0.0 109.99 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 57' ' ' ILE . 27.1 m -132.16 163.69 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -118.67 146.08 44.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.529 -0.732 . . . . 0.0 109.652 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.798 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.07 142.78 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.655 -0.653 . . . . 0.0 109.809 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.68 135.99 34.41 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.346 166.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.88 174.07 9.54 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.888 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -58.01 -21.05 43.15 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.695 -0.628 . . . . 0.0 111.545 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -96.88 25.34 5.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.493 -0.754 . . . . 0.0 111.031 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.72 26.66 15.8 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.269 -0.894 . . . . 0.0 110.979 171.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -102.11 141.59 34.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.41 -0.807 . . . . 0.0 109.299 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' HD22 ' A' ' 14' ' ' LEU . 19.5 pttp -109.93 139.07 45.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.53 -0.731 . . . . 0.0 110.863 -175.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 150.91 41.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.808 -0.557 . . . . 0.0 109.978 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 58' ' ' LEU . 33.6 ptt180 -137.75 155.93 48.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.517 -0.739 . . . . 0.0 110.49 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.67 179.56 48.51 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 176.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.97 132.08 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.74 -0.859 . . . . 0.0 109.283 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 6' ' ' PHE . 60.4 mt -65.45 135.32 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.631 -0.668 . . . . 0.0 110.27 -176.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.733 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.17 -14.69 6.48 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.907 -0.496 . . . . 0.0 111.677 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -158.04 151.54 23.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.938 -1.101 . . . . 0.0 111.081 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -149.09 133.66 17.69 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -122.01 119.31 31.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.755 -0.591 . . . . 0.0 109.978 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -68.37 -31.16 70.34 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.874 -0.516 . . . . 0.0 110.71 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -61.14 -48.92 79.39 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.502 -0.749 . . . . 0.0 110.875 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -123.95 14.98 9.26 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.745 . . . . 0.0 111.264 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 p 46.95 67.16 0.83 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.571 -0.706 . . . . 0.0 111.643 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.033 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -114.14 130.99 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.482 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 37' ' ' LEU . 11.2 tp -123.7 124.29 42.41 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.686 . . . . 0.0 110.399 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.91 126.91 42.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.791 -0.568 . . . . 0.0 109.55 172.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 35' ' ' LEU . 57.8 mt -111.07 126.4 54.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.748 -0.595 . . . . 0.0 110.083 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.733 ' HB2' HG21 ' A' ' 26' ' ' THR . 56.9 ttt85 -111.85 119.59 39.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.735 -0.603 . . . . 0.0 110.048 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.43 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.4 tp -101.99 158.15 16.36 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.82 -4.27 8.8 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.984 -0.447 . . . . 0.0 112.034 -171.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.63 29.79 0.77 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.094 -1.004 . . . . 0.0 110.806 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.45 17.5 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.151 -0.968 . . . . 0.0 110.294 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -123.95 137.83 54.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.528 -0.733 . . . . 0.0 110.134 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -130.59 148.63 52.41 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.708 -0.62 . . . . 0.0 110.201 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -143.49 142.01 30.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.681 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.8 p -103.31 114.29 28.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.858 -0.526 . . . . 0.0 109.877 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.13 132.19 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.669 -0.644 . . . . 0.0 109.529 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.033 HG22 HD12 ' A' ' 34' ' ' ILE . 38.1 t -71.63 136.94 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.331 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.422 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.1 p -63.26 -24.53 67.91 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.552 -0.718 . . . . 0.0 111.355 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.64 -25.3 62.6 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.229 -0.92 . . . . 0.0 110.968 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.22 11.04 17.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.798 HG23 ' CG2' ' A' ' 13' ' ' VAL . 97.2 mt -75.16 112.99 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.205 -0.935 . . . . 0.0 109.747 173.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.05 -39.17 30.33 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.947 171.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.0 m-20 -153.2 155.95 37.62 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.645 -0.659 . . . . 0.0 110.78 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 52' ' ' ILE . 14.6 mt -135.99 144.2 45.22 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.658 -0.651 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -148.81 159.21 44.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.74 -0.6 . . . . 0.0 109.629 172.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.571 HG12 HG12 ' A' ' 11' ' ' VAL . 79.6 mt -108.42 130.02 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.517 -0.74 . . . . 0.0 109.45 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 22' ' ' ARG . 41.9 mt -79.06 161.8 66.94 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.596 -0.69 . . . . 0.0 110.159 -175.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -61.44 134.24 50.48 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 O-C-N 123.636 1.335 . . . . 0.0 110.769 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -146.62 -60.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.77 -0.581 . . . . 0.0 109.951 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -147.65 27.33 1.0 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.807 -0.558 . . . . 0.0 110.624 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.16 -42.14 9.54 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.29 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.0 mt -116.41 135.42 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.7 -0.625 . . . . 0.0 109.677 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 tpt -98.43 138.53 20.82 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.735 -0.603 . . . . 0.0 109.993 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -65.88 150.93 85.39 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 O-C-N 123.41 1.216 . . . . 0.0 110.432 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.15 127.85 34.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.629 -0.669 . . . . 0.0 110.224 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -109.38 145.86 35.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.69 -0.631 . . . . 0.0 110.187 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -34.16 88.67 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -110.89 143.08 42.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.676 -0.896 . . . . 0.0 110.024 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -90.11 120.81 31.61 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.673 -0.642 . . . . 0.0 110.216 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -129.94 79.22 73.56 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.739 -0.601 . . . . 0.0 110.053 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -66.64 142.91 66.15 Favored 'Trans proline' 0 N--CA 1.488 1.184 0 O-C-N 123.543 1.286 . . . . 0.0 110.408 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -130.01 -49.71 1.12 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.688 -0.633 . . . . 0.0 110.211 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -134.84 149.97 50.42 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.346 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -68.34 -38.6 81.65 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.71 -0.619 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -157.33 169.76 24.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.691 -0.631 . . . . 0.0 110.21 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -119.64 151.96 37.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.646 -0.659 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -143.1 140.89 31.06 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 110.168 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -93.86 135.25 35.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.684 -0.635 . . . . 0.0 110.167 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -97.38 -35.55 10.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.668 -0.645 . . . . 0.0 110.335 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 m -63.7 -34.25 77.45 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.693 -0.63 . . . . 0.0 110.528 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.3 72.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.738 -0.602 . . . . 0.0 110.425 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.32 -32.77 74.6 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.6 -0.688 . . . . 0.0 110.489 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.1 p -113.52 163.11 15.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.629 -0.669 . . . . 0.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.28 -33.2 6.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.672 -0.642 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -132.52 160.1 37.51 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.739 -0.6 . . . . 0.0 110.196 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.9 m -116.2 151.22 36.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.671 -0.643 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -91.05 128.12 36.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.652 -0.655 . . . . 0.0 110.271 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 54.05 31.43 13.66 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.599 -0.688 . . . . 0.0 111.078 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -135.17 96.96 3.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.623 -0.673 . . . . 0.0 110.045 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -162.02 -60.8 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.596 -0.69 . . . . 0.0 110.289 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -97.67 -37.01 10.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.386 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -67.15 -42.26 84.64 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.648 -0.657 . . . . 0.0 110.33 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -109.92 148.37 31.7 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.657 -0.652 . . . . 0.0 110.21 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.3 t 52.78 94.43 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.637 -0.664 . . . . 0.0 111.021 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.47 174.88 6.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.624 -0.673 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -102.94 145.4 29.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.636 -0.665 . . . . 0.0 110.2 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 52.02 -173.12 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.596 -0.69 . . . . 0.0 111.063 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.3 150.66 39.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 110.135 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -83.63 134.63 34.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.585 . . . . 0.0 110.144 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -104.21 136.96 42.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.68 -0.638 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.7 32.61 12.28 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.592 -0.692 . . . . 0.0 111.009 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.07 148.87 23.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.756 -0.59 . . . . 0.0 110.177 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -95.97 104.63 16.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.693 -0.63 . . . . 0.0 110.258 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.78 139.8 39.03 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.643 -0.66 . . . . 0.0 110.208 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.8 134.65 47.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.668 -0.645 . . . . 0.0 110.098 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -106.44 133.93 50.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.751 -0.593 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -74.11 -52.09 13.65 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.714 -0.616 . . . . 0.0 110.288 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -67.79 -37.7 82.37 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.691 -0.631 . . . . 0.0 110.432 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -101.39 144.42 30.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.593 -0.692 . . . . 0.0 110.417 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -129.8 138.06 50.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.742 -0.599 . . . . 0.0 109.983 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 51.98 89.61 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.625 -0.672 . . . . 0.0 110.84 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.72 137.29 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.631 -0.668 . . . . 0.0 109.82 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.52 136.88 45.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.712 -0.618 . . . . 0.0 110.053 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -158.29 -45.3 0.06 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.676 -0.64 . . . . 0.0 110.377 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.625 -0.672 . . . . 0.0 110.462 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.78 129.09 54.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.689 -0.632 . . . . 0.0 110.162 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -95.88 -63.23 1.17 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.666 -0.647 . . . . 0.0 110.097 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -110.09 30.56 6.62 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.655 -0.653 . . . . 0.0 110.294 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -124.4 143.49 50.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.706 . . . . 0.0 110.21 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.506 2.328 0 CA-C-O 117.863 -1.065 . . . . 0.0 111.084 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.32 150.52 24.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.71 -0.876 . . . . 0.0 110.175 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.25 -34.83 79.02 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.662 -0.649 . . . . 0.0 110.446 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 163.28 129.32 1.02 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -128.31 156.23 43.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.693 -0.886 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -120.44 152.55 37.81 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.68 -0.637 . . . . 0.0 110.185 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.45 -30.59 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.709 -0.62 . . . . 0.0 110.202 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.8 71.67 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.506 -0.747 . . . . 0.0 110.72 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.23 -39.0 93.06 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.616 -0.677 . . . . 0.0 110.484 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.14 -33.59 73.68 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.665 -0.647 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -68.74 130.6 43.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.671 -0.643 . . . . 0.0 109.891 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.41 -0.24 89.31 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -87.31 144.75 26.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -1.169 . . . . 0.0 110.127 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.64 114.9 27.33 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.644 -0.66 . . . . 0.0 109.947 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 25' ' ' ILE . 26.9 m -129.81 162.36 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -118.63 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.517 -0.739 . . . . 0.0 109.491 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.864 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.5 p -133.87 143.13 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.486 -0.759 . . . . 0.0 109.757 177.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -96.3 136.09 37.25 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.416 168.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.74 176.69 8.78 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.93 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.43 -21.89 39.74 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.725 -0.61 . . . . 0.0 111.592 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -99.03 24.72 7.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.124 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.66 25.91 12.3 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.205 -0.934 . . . . 0.0 110.677 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -96.71 132.99 41.82 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 170.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.719 ' HG2' HD22 ' A' ' 14' ' ' LEU . 58.5 mttt -109.69 137.03 48.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.391 -170.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.0 148.2 38.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.771 -0.58 . . . . 0.0 110.04 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' O ' HD13 ' A' ' 39' ' ' LEU . 34.4 ptt-85 -139.64 150.37 44.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.576 -0.702 . . . . 0.0 110.665 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.83 -173.52 45.78 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.1 t -90.75 140.08 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.595 -0.944 . . . . 0.0 109.698 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 HG21 ' A' ' 11' ' ' VAL . 84.1 mt -80.45 139.48 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.653 -0.654 . . . . 0.0 109.964 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.671 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.5 p -125.1 -36.07 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.669 -0.645 . . . . 0.0 111.509 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -138.57 148.74 44.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.091 -1.006 . . . . 0.0 111.107 -173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -149.13 130.77 14.95 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -122.03 122.11 38.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.663 -0.648 . . . . 0.0 110.025 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -71.14 -26.17 62.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.784 -0.572 . . . . 0.0 110.878 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -61.68 -48.5 80.5 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.438 -0.789 . . . . 0.0 110.76 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -124.1 9.66 8.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.525 -0.734 . . . . 0.0 111.251 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m 51.15 67.07 1.0 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.193 -0.942 . . . . 0.0 111.001 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.056 HD12 HG22 ' A' ' 48' ' ' VAL . 45.8 mm -115.16 132.9 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.488 -0.757 . . . . 0.0 109.638 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -124.29 122.91 39.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -174.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -97.88 129.03 44.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 120.344 -0.543 . . . . 0.0 109.761 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.9 mt -110.96 120.01 40.98 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.856 177.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HG21 ' A' ' 26' ' ' THR . 70.8 ttt180 -96.81 125.28 41.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.81 -0.556 . . . . 0.0 109.715 176.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.5 tp -102.01 152.17 21.28 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.852 -174.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -9.41 12.54 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.998 -0.439 . . . . 0.0 111.871 -173.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -85.08 30.99 0.56 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.096 -1.002 . . . . 0.0 111.081 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.12 16.98 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.028 -1.045 . . . . 0.0 110.45 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -122.98 139.25 54.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.076 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -130.28 141.36 50.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.656 -0.652 . . . . 0.0 110.179 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -144.04 142.06 30.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.673 -0.642 . . . . 0.0 110.334 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -97.59 126.47 42.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.69 -0.631 . . . . 0.0 110.237 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.0 mt -128.93 133.01 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.659 -0.651 . . . . 0.0 109.395 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.056 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -77.06 136.99 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.647 -0.658 . . . . 0.0 109.264 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -64.41 -24.56 67.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.615 -0.678 . . . . 0.0 111.363 -172.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -58.4 -25.05 61.67 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.262 -0.899 . . . . 0.0 110.891 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.36 9.2 21.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.477 -0.764 . . . . 0.0 111.303 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.864 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.3 mt -77.35 112.97 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.221 -0.924 . . . . 0.0 109.807 174.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -81.75 -39.63 23.88 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.109 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.9 m-20 -152.52 145.87 24.79 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.84 -173.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD11 HG21 ' A' ' 52' ' ' ILE . 16.6 mt -126.83 144.2 51.04 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.785 -0.572 . . . . 0.0 110.913 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -148.0 159.06 44.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.746 -0.596 . . . . 0.0 109.82 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 HG12 ' A' ' 11' ' ' VAL . 76.9 mt -113.35 130.02 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.581 -0.699 . . . . 0.0 109.498 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 mt -84.21 155.73 63.44 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.631 -0.668 . . . . 0.0 110.005 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -67.01 118.48 5.6 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 O-C-N 123.633 1.333 . . . . 0.0 110.466 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.47 -33.16 74.56 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.66 -0.65 . . . . 0.0 110.342 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.24 36.17 21.94 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.606 -0.684 . . . . 0.0 110.872 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.4 -32.72 72.98 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.716 -0.615 . . . . 0.0 110.292 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.25 -26.24 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.647 -0.658 . . . . 0.0 110.919 -178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.4 mtt -96.27 117.18 66.36 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.515 -0.74 . . . . 0.0 110.045 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -67.43 -34.58 26.1 Favored 'Trans proline' 0 N--CA 1.488 1.2 0 O-C-N 123.327 1.172 . . . . 0.0 110.374 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -137.13 127.91 27.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.662 -0.649 . . . . 0.0 110.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.71 -36.0 82.36 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.694 -0.629 . . . . 0.0 110.358 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 166.55 -91.48 0.1 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 154.06 50.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.658 -0.907 . . . . 0.0 110.32 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.21 137.58 45.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.279 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.8 m -139.71 161.3 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.709 -0.619 . . . . 0.0 110.134 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -62.7 133.96 44.85 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 O-C-N 123.609 1.321 . . . . 0.0 110.615 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -147.62 135.77 21.39 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.728 -0.608 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 p -129.35 158.43 39.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.701 -0.625 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -158.7 128.68 5.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.592 -0.692 . . . . 0.0 110.246 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -123.93 140.9 52.53 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.633 -0.667 . . . . 0.0 110.28 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -131.88 139.06 48.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.739 -0.601 . . . . 0.0 110.011 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -115.11 122.22 45.45 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.667 -0.646 . . . . 0.0 110.209 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 81' ' ' SER . 1.5 tt -138.82 107.49 5.9 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.733 -0.605 . . . . 0.0 109.843 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.96 31.99 4.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.608 -0.682 . . . . 0.0 110.569 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.466 ' H ' HD23 ' A' ' 79' ' ' LEU . 32.3 t -65.37 -37.04 85.82 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.533 -0.729 . . . . 0.0 110.296 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.7 72.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.606 -0.684 . . . . 0.0 110.241 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 52.84 85.19 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.55 -0.719 . . . . 0.0 110.968 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -141.47 161.61 37.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.656 -0.652 . . . . 0.0 110.393 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -71.38 143.22 50.26 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.747 -0.595 . . . . 0.0 110.074 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.6 t -138.53 150.88 46.83 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.689 -0.632 . . . . 0.0 110.145 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 m -63.92 -36.01 82.54 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.706 -0.621 . . . . 0.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.89 130.97 54.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.676 -0.64 . . . . 0.0 110.087 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -112.45 129.9 56.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.595 -0.691 . . . . 0.0 110.279 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -103.1 116.86 33.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.179 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -119.5 137.37 53.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.591 -0.693 . . . . 0.0 110.141 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.3 m -125.67 136.43 53.21 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.181 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -146.49 -46.94 0.19 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.637 -0.664 . . . . 0.0 110.089 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -87.25 140.14 29.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.662 -0.649 . . . . 0.0 110.15 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.9 p -122.34 167.34 13.39 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.732 -0.605 . . . . 0.0 110.368 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.23 116.22 23.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.667 -0.646 . . . . 0.0 110.246 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -108.02 143.07 37.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.789 -0.569 . . . . 0.0 110.098 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -95.01 130.37 41.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.252 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -69.84 -44.4 69.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.687 -0.633 . . . . 0.0 110.257 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.701 -0.624 . . . . 0.0 110.472 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.26 126.25 50.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.643 -0.66 . . . . 0.0 110.321 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.13 152.02 23.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 0.0 110.084 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.78 150.32 30.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.71 -0.619 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 53.22 39.54 29.86 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.614 -0.679 . . . . 0.0 110.974 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.44 HD21 ' HE2' ' A' ' 107' ' ' LYS . 21.4 tp -107.05 123.67 48.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.601 -0.687 . . . . 0.0 110.17 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -124.8 129.91 51.36 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.664 -0.647 . . . . 0.0 110.12 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HE2' HD21 ' A' ' 105' ' ' LEU . 55.4 mttm -134.98 135.51 41.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.676 -0.64 . . . . 0.0 110.169 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.97 21.79 16.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.699 -0.626 . . . . 0.0 110.869 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.48 -37.1 82.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.386 -0.821 . . . . 0.0 110.203 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -102.5 110.57 22.55 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.785 -0.572 . . . . 0.0 110.221 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -141.26 126.21 18.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 110.119 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 52.33 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.563 -0.711 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 114' ' ' PHE . 41.6 t 58.13 164.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 O-C-N 121.793 -0.567 . . . . 0.0 110.744 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' N ' HG12 ' A' ' 113' ' ' VAL . 83.0 t80 -100.77 135.1 42.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.501 -0.749 . . . . 0.0 110.24 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.6 160.95 28.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.708 -0.62 . . . . 0.0 110.15 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 52.68 -175.24 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.534 -0.729 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -123.16 156.06 35.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.744 -0.597 . . . . 0.0 110.274 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -69.79 153.5 43.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.72 -0.613 . . . . 0.0 110.107 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -93.45 138.9 31.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.682 -0.636 . . . . 0.0 110.129 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -132.66 37.38 3.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.647 -0.658 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.222 -179.907 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.88 32.1 4.12 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.625 -0.926 . . . . 0.0 110.43 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -88.96 -63.98 1.21 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.637 -0.665 . . . . 0.0 110.196 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -88.82 -176.88 46.69 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm 52.19 94.57 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.684 -0.892 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -114.85 150.36 35.65 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.629 -0.669 . . . . 0.0 110.257 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.3 -29.5 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.762 -0.586 . . . . 0.0 110.246 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.09 72.07 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.515 -0.74 . . . . 0.0 110.687 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.09 -40.03 94.01 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.671 -0.643 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -75.48 -30.39 59.88 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.632 -0.668 . . . . 0.0 110.439 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.07 128.99 38.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.514 -0.741 . . . . 0.0 110.121 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.33 83.0 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' ' 25' ' ' ILE . 74.7 p -87.16 151.96 22.74 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.206 -1.173 . . . . 0.0 110.046 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.0 m120 -96.21 114.92 26.65 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.643 -0.661 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 27.3 m -129.56 159.46 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.8 -0.562 . . . . 0.0 109.748 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -118.69 146.01 45.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.607 -0.683 . . . . 0.0 109.649 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.702 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -132.93 142.93 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.869 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.67 136.07 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.276 166.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.19 174.54 8.55 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.914 175.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.87 -20.73 24.59 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 121.626 -0.671 . . . . 0.0 111.594 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -93.94 22.92 5.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.375 -0.828 . . . . 0.0 111.062 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.27 25.9 13.25 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.301 -0.874 . . . . 0.0 110.787 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -101.43 145.11 29.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.583 -0.698 . . . . 0.0 109.184 170.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.4 ptpt -109.88 144.15 38.77 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.615 -0.678 . . . . 0.0 110.906 -173.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.91 142.71 34.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.775 -0.578 . . . . 0.0 109.967 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.3 ptt85 -137.15 144.35 42.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.552 -0.718 . . . . 0.0 110.556 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.8 -172.02 44.24 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.3 t -92.26 138.21 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.528 -0.983 . . . . 0.0 109.574 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 91.0 mt -78.35 139.07 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.538 -0.726 . . . . 0.0 109.967 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 38' ' ' ARG . 34.3 p -125.13 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.667 -0.646 . . . . 0.0 111.575 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -136.97 148.05 46.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.092 -1.005 . . . . 0.0 111.099 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -149.16 130.51 14.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -122.08 122.0 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 110.104 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.79 -25.95 63.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.815 -0.553 . . . . 0.0 110.872 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.52 -49.31 77.23 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.423 -0.798 . . . . 0.0 110.848 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -123.99 10.37 8.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.564 -0.71 . . . . 0.0 111.342 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 51.25 67.01 1.01 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.083 -1.011 . . . . 0.0 110.955 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.081 HD12 HG22 ' A' ' 48' ' ' VAL . 44.6 mm -114.32 133.47 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.582 -0.699 . . . . 0.0 109.671 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.56 125.49 44.27 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.646 -0.659 . . . . 0.0 110.227 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.71 129.86 47.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.796 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.9 120.02 41.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.884 -0.51 . . . . 0.0 110.004 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.701 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.5 ttt180 -95.88 124.08 39.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.9 tp -102.19 148.1 25.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 0.0 110.784 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -7.56 15.03 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.905 -0.497 . . . . 0.0 111.953 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.85 29.35 0.81 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.037 -1.039 . . . . 0.0 110.982 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.41 27.78 17.31 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.05 -1.031 . . . . 0.0 110.516 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -120.45 141.86 49.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.466 -0.771 . . . . 0.0 110.112 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -128.91 145.49 51.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.681 -0.637 . . . . 0.0 110.241 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -143.99 142.07 30.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.68 -0.638 . . . . 0.0 110.577 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.4 p -110.02 118.8 37.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.787 -0.571 . . . . 0.0 109.855 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -129.02 130.96 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.586 -0.696 . . . . 0.0 109.493 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.35 136.35 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.458 ' HB ' HD12 ' A' ' 52' ' ' ILE . 64.8 p -62.57 -24.68 67.67 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.604 -0.685 . . . . 0.0 111.331 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -57.59 -25.02 59.42 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 110.934 -175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -86.99 8.42 23.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.413 -0.805 . . . . 0.0 111.31 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.702 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.9 113.01 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.137 -0.977 . . . . 0.0 109.783 175.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -80.22 -39.67 28.64 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.843 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.4 155.92 37.28 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.666 -176.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 52' ' ' ILE . 14.9 mt -134.58 144.12 47.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.607 -0.683 . . . . 0.0 110.936 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -147.1 158.16 43.85 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.755 -0.59 . . . . 0.0 109.749 171.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.523 HG12 HG12 ' A' ' 11' ' ' VAL . 78.9 mt -114.99 129.97 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.636 -0.665 . . . . 0.0 109.433 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt -82.5 162.9 54.46 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.673 -0.642 . . . . 0.0 110.022 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -61.3 144.46 98.61 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 O-C-N 123.671 1.353 . . . . 0.0 110.725 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.11 31.89 3.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.669 -0.644 . . . . 0.0 110.328 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -136.88 159.91 40.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.53 -0.731 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -135.59 131.83 36.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.622 -0.674 . . . . 0.0 110.154 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -90.39 -48.08 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.625 -0.672 . . . . 0.0 109.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.3 mtt -114.37 160.74 31.69 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.662 -0.649 . . . . 0.0 110.253 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -65.76 127.3 17.6 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 O-C-N 123.671 1.353 . . . . 0.0 110.475 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.37 -40.06 89.49 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.765 -0.584 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -145.1 -176.35 5.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.72 -0.613 . . . . 0.0 110.377 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.93 -171.34 16.07 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -64.06 -30.9 71.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.689 -0.889 . . . . 0.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -137.36 -63.15 0.6 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.599 -0.688 . . . . 0.0 110.166 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -140.74 156.83 68.77 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -67.41 142.45 59.78 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 O-C-N 123.656 1.345 . . . . 0.0 110.362 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -130.31 151.61 50.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.672 -0.642 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.7 p -129.57 164.3 24.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.642 -0.661 . . . . 0.0 110.182 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 t30 53.96 -178.49 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.509 -0.744 . . . . 0.0 110.902 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 79' ' ' LEU . 68.2 m -97.02 154.98 16.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.248 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 m -117.99 169.11 9.92 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.666 -0.647 . . . . 0.0 110.155 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.8 mttt 54.43 47.36 23.03 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.549 -0.72 . . . . 0.0 110.879 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 76' ' ' SER . 79.2 mt -93.14 135.75 34.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.548 -0.72 . . . . 0.0 110.117 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -101.69 120.97 41.18 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.722 -0.611 . . . . 0.0 110.21 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 t -67.38 -31.93 72.49 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.734 -0.604 . . . . 0.0 110.496 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.92 77.11 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.657 -0.652 . . . . 0.0 110.567 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -105.2 119.38 38.91 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 110.274 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -69.44 -37.38 77.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.666 -0.646 . . . . 0.0 110.082 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -120.55 159.77 24.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.683 -0.635 . . . . 0.0 110.269 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -95.97 146.35 24.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.715 -0.616 . . . . 0.0 110.146 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -114.77 158.41 21.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.666 -0.646 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -69.64 146.68 51.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.781 -0.574 . . . . 0.0 110.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.07 136.17 33.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.719 -0.613 . . . . 0.0 110.179 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -64.74 -33.08 75.12 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.745 -0.597 . . . . 0.0 110.5 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -97.44 142.48 29.24 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.665 -0.647 . . . . 0.0 110.325 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.2 p -98.53 167.71 10.64 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.786 -0.571 . . . . 0.0 110.229 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 90.5 mtp -84.4 134.54 34.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.743 -0.598 . . . . 0.0 110.135 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -89.06 132.97 34.53 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.715 -0.616 . . . . 0.0 110.162 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 96.9 m -89.25 -40.46 12.81 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.67 -0.644 . . . . 0.0 110.2 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -144.5 146.79 32.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.71 -0.619 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -112.21 154.67 25.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.627 -0.67 . . . . 0.0 110.136 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -104.45 150.47 24.53 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.724 -0.61 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -146.25 -62.77 0.31 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.665 -0.647 . . . . 0.0 110.37 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -65.03 -39.2 93.04 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.71 -0.619 . . . . 0.0 110.44 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -119.31 143.96 47.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.741 -0.599 . . . . 0.0 110.334 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.14 -34.49 7.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.713 -0.617 . . . . 0.0 110.16 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.4 158.53 43.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.759 -0.588 . . . . 0.0 110.114 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -95.72 107.15 19.34 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.693 -0.629 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.74 -33.32 74.64 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.717 -0.614 . . . . 0.0 110.411 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -94.78 -170.31 2.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.604 -0.685 . . . . 0.0 110.302 -177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 57.22 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 O-C-N 122.017 -0.427 . . . . 0.0 111.363 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.26 126.67 45.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.153 -0.967 . . . . 0.0 110.378 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 52.7 -177.52 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.633 -0.667 . . . . 0.0 111.272 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -162.25 130.31 4.03 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.665 -0.647 . . . . 0.0 110.262 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -97.5 -46.78 5.91 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 110.246 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 52.42 72.83 0.38 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.612 -0.68 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 t -118.01 130.3 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.471 -0.768 . . . . 0.0 109.723 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -68.77 -42.67 77.11 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.709 -0.619 . . . . 0.0 110.255 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -101.65 153.33 19.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.634 -0.666 . . . . 0.0 110.306 -178.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -97.28 150.57 20.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.705 -0.622 . . . . 0.0 110.218 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -66.84 -32.62 74.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.739 -0.6 . . . . 0.0 110.464 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -101.33 148.49 25.08 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.709 -0.62 . . . . 0.0 110.264 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -110.98 161.83 15.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -82.68 133.8 35.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.713 -0.617 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.332 -179.856 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.58 -42.34 5.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.679 -0.894 . . . . 0.0 110.255 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.71 -34.01 77.31 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.732 -0.605 . . . . 0.0 110.551 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 86.16 63.2 1.52 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mtp 53.3 -179.15 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.561 -0.964 . . . . 0.0 111.2 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -130.02 156.85 43.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.8 -27.41 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.726 -0.609 . . . . 0.0 110.251 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.89 67.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.459 -0.776 . . . . 0.0 110.807 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.97 -38.89 92.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.583 -0.698 . . . . 0.0 110.363 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' O ' HD12 ' A' ' 25' ' ' ILE . 97.7 m-85 -78.56 -30.49 46.88 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.681 -0.637 . . . . 0.0 110.287 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 127.09 29.77 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.63 -0.669 . . . . 0.0 110.194 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.73 1.69 90.58 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -87.18 151.39 23.22 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.076 -1.249 . . . . 0.0 110.095 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -95.56 114.82 26.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.588 -0.695 . . . . 0.0 110.014 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 57' ' ' ILE . 27.0 m -132.68 164.37 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.865 -0.522 . . . . 0.0 109.654 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.9 tt0 -118.64 146.07 44.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.543 -0.723 . . . . 0.0 109.669 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.704 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.32 141.82 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.66 136.08 33.53 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.312 166.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.45 173.18 9.81 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.809 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.76 -21.69 30.21 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.644 -0.66 . . . . 0.0 111.448 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.71 24.84 5.0 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.506 -0.746 . . . . 0.0 111.026 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 59.11 26.61 15.35 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.257 -0.902 . . . . 0.0 110.91 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -101.73 142.62 32.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.468 -0.77 . . . . 0.0 109.28 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HB3' HD22 ' A' ' 14' ' ' LEU . 21.0 pttm -109.88 138.82 45.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.541 -0.725 . . . . 0.0 110.97 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.03 149.03 39.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.781 -0.575 . . . . 0.0 109.934 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -137.03 155.17 50.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.448 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.69 -179.8 48.67 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 176.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.61 132.65 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.615 -0.933 . . . . 0.0 109.358 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 6' ' ' PHE . 59.1 mt -65.09 135.95 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.0 p -125.09 -15.46 6.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.965 -0.459 . . . . 0.0 111.602 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -157.51 152.25 25.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.957 -1.09 . . . . 0.0 110.983 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -149.16 134.92 18.78 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.081 0.467 . . . . 0.0 109.765 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.06 125.22 45.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.725 -0.61 . . . . 0.0 109.605 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.3 p -78.86 -32.87 46.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.75 -0.593 . . . . 0.0 110.781 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.3 p -68.61 -34.58 76.01 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.683 -0.636 . . . . 0.0 110.606 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -124.02 -0.86 8.35 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.644 -0.66 . . . . 0.0 111.47 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m 53.08 67.04 1.06 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.033 -1.042 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.044 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.78 134.32 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.586 -0.696 . . . . 0.0 109.545 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 37' ' ' LEU . 10.4 tp -126.6 124.76 40.66 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.511 -0.743 . . . . 0.0 110.369 -173.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -97.07 127.07 42.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.835 -0.541 . . . . 0.0 109.573 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 35' ' ' LEU . 55.1 mt -110.93 125.55 53.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.698 -0.626 . . . . 0.0 110.218 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.3 ttt180 -111.49 119.9 40.32 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.759 -0.588 . . . . 0.0 109.996 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA2' ' A' ' 23' ' ' GLY . 67.1 tp -101.85 157.71 16.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.657 -0.652 . . . . 0.0 110.507 -174.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.47 -2.18 8.15 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.923 -0.486 . . . . 0.0 112.145 -171.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -86.9 26.84 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.991 -1.068 . . . . 0.0 111.014 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.14 -0.975 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -123.39 138.19 54.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.379 -0.826 . . . . 0.0 110.241 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -132.26 147.17 52.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.721 -0.612 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -144.02 142.01 30.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.627 -0.671 . . . . 0.0 110.778 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.2 p -100.52 116.33 32.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.795 -0.566 . . . . 0.0 109.963 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.59 132.64 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.662 -0.649 . . . . 0.0 109.525 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.044 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -72.6 137.34 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.638 -0.664 . . . . 0.0 109.27 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.7 p -64.0 -24.67 67.81 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.558 -0.714 . . . . 0.0 111.25 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -59.11 -25.34 63.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.23 -0.919 . . . . 0.0 110.786 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.11 12.3 16.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.478 -0.764 . . . . 0.0 111.264 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.704 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.24 112.96 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.186 -0.946 . . . . 0.0 109.664 172.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -79.37 -40.35 30.37 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.889 170.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.64 155.95 37.0 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.77 -175.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 52' ' ' ILE . 16.4 mt -134.95 144.27 47.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 110.946 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -148.51 159.05 44.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.801 -0.562 . . . . 0.0 109.646 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG12 HG12 ' A' ' 11' ' ' VAL . 71.5 mt -109.29 130.08 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 12' ' ' GLU . 41.6 mt -82.98 159.47 62.75 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.719 -0.613 . . . . 0.0 110.196 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -64.79 174.27 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 O-C-N 123.709 1.373 . . . . 0.0 110.613 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -69.27 166.84 17.62 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.767 -0.583 . . . . 0.0 110.216 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.58 48.03 1.13 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.698 -0.627 . . . . 0.0 110.177 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -64.24 -33.11 75.06 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.47 -0.769 . . . . 0.0 110.303 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.7 mt -112.88 138.86 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.44 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.4 tpt -68.0 117.09 45.37 Favored Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.706 -0.621 . . . . 0.0 110.151 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.67 156.47 60.9 Favored 'Trans proline' 0 N--CA 1.487 1.112 0 O-C-N 123.378 1.199 . . . . 0.0 110.322 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -70.04 134.8 48.64 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.701 -0.624 . . . . 0.0 109.953 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -98.05 134.39 41.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.685 -0.635 . . . . 0.0 110.074 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.5 79.96 0.37 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -62.84 -39.49 94.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.602 -0.94 . . . . 0.0 110.374 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.86 89.48 2.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.713 -0.617 . . . . 0.0 110.193 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.2 p -134.86 81.16 47.14 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.593 -0.692 . . . . 0.0 110.15 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -65.84 -28.81 50.76 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 O-C-N 123.543 1.286 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.6 p -65.0 -30.69 71.69 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.46 -0.775 . . . . 0.0 110.729 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.7 p -125.07 158.2 34.37 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.495 -0.753 . . . . 0.0 110.493 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -131.79 126.55 34.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.682 -0.636 . . . . 0.0 110.028 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -114.15 140.43 48.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.64 -0.662 . . . . 0.0 110.319 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -114.35 29.81 7.75 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.681 -0.637 . . . . 0.0 110.516 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 52.78 32.49 12.3 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.491 -0.755 . . . . 0.0 110.991 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.12 -42.91 75.42 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.658 -0.651 . . . . 0.0 110.224 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -67.35 -38.03 84.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.704 -0.622 . . . . 0.0 110.419 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.4 p -66.63 -27.81 67.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.693 -0.629 . . . . 0.0 110.63 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.99 79.13 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.485 -0.759 . . . . 0.0 110.564 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.08 131.36 53.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 110.201 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 p -130.87 146.43 52.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.692 -0.63 . . . . 0.0 110.213 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -69.0 -41.02 78.36 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.613 -0.679 . . . . 0.0 110.122 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.1 t -118.27 146.54 44.22 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.732 -0.605 . . . . 0.0 110.276 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.07 160.9 32.06 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.77 -0.582 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -125.81 33.16 5.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.646 -0.659 . . . . 0.0 110.438 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.58 97.73 7.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.679 -0.638 . . . . 0.0 110.186 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -141.79 122.79 14.57 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.195 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.9 p90 -148.24 157.27 43.4 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.726 -0.609 . . . . 0.0 110.275 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.95 -65.27 0.97 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.684 -0.635 . . . . 0.0 110.099 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 57.2 mtt -147.34 30.12 0.94 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.653 -0.655 . . . . 0.0 110.379 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -101.65 132.86 47.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.635 -0.666 . . . . 0.0 110.255 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 t 57.95 166.39 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.593 -0.692 . . . . 0.0 110.997 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.27 155.84 18.44 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.584 -0.698 . . . . 0.0 110.248 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -128.09 138.03 52.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.691 -0.631 . . . . 0.0 110.049 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.33 -38.46 81.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.715 -0.616 . . . . 0.0 110.232 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -109.99 132.26 54.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.679 . . . . 0.0 110.295 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -106.95 121.82 45.2 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.653 -0.654 . . . . 0.0 110.283 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -68.6 -45.03 73.04 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.619 -0.676 . . . . 0.0 110.29 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.67 140.96 45.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.601 -0.687 . . . . 0.0 110.255 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.63 149.26 18.35 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.688 -0.632 . . . . 0.0 110.302 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -127.41 -66.76 0.87 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.694 -0.629 . . . . 0.0 110.19 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 105' ' ' LEU . 4.6 mm? 51.74 84.11 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.587 -0.695 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -123.99 144.39 49.84 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.126 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -65.71 -34.89 79.25 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.619 -0.675 . . . . 0.0 110.326 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -118.66 153.9 33.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.64 -0.662 . . . . 0.0 110.15 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.23 165.83 34.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.732 -0.605 . . . . 0.0 110.196 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -69.91 134.43 48.4 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.716 -0.615 . . . . 0.0 110.02 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -96.29 137.2 35.71 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.66 -0.65 . . . . 0.0 110.285 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.82 161.15 32.42 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.694 -0.629 . . . . 0.0 110.14 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.54 129.53 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.687 -0.633 . . . . 0.0 109.661 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -130.08 151.73 50.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.683 -0.636 . . . . 0.0 110.257 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.88 136.42 38.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.709 -0.619 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -158.47 34.58 0.23 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.663 -0.648 . . . . 0.0 110.413 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -64.57 -39.08 93.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.662 -0.649 . . . . 0.0 110.32 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -63.31 -35.98 82.17 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.693 -0.63 . . . . 0.0 110.423 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.53 -35.27 80.38 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.763 -0.585 . . . . 0.0 110.377 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -65.22 -34.18 77.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.67 -0.644 . . . . 0.0 110.362 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.113 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.52 -83.0 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.787 -0.831 . . . . 0.0 111.088 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.8 ptp -142.98 33.69 1.37 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.225 -0.922 . . . . 0.0 110.422 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.22 91.07 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -131.61 153.76 49.58 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.671 -0.9 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 m -121.94 150.65 41.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.67 -0.644 . . . . 0.0 110.251 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.4 -31.17 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.731 -0.605 . . . . 0.0 110.106 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.65 70.8 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.524 -0.735 . . . . 0.0 110.629 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -64.34 -39.83 94.66 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.563 -0.711 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -69.23 -33.48 73.36 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.685 -0.635 . . . . 0.0 110.069 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.98 129.62 40.45 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.662 -0.649 . . . . 0.0 109.894 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.61 -3.05 87.36 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.18 146.95 25.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.179 -1.189 . . . . 0.0 110.061 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.467 ' OD1' HG22 ' A' ' 24' ' ' VAL . 12.4 m-80 -91.67 114.87 27.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.676 -0.64 . . . . 0.0 110.103 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.62 157.93 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.744 -0.597 . . . . 0.0 109.751 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -118.63 145.97 45.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.478 -0.764 . . . . 0.0 109.502 173.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.862 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -136.55 142.9 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.614 -0.678 . . . . 0.0 109.749 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.31 136.13 36.05 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.427 169.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.73 177.36 8.4 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.954 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.98 -21.85 46.55 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.805 -0.559 . . . . 0.0 111.523 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -98.72 24.33 7.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.52 -0.737 . . . . 0.0 111.156 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.81 25.66 12.23 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.325 -0.859 . . . . 0.0 110.74 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.61 133.42 42.18 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HG2' HD22 ' A' ' 14' ' ' LEU . 36.8 mttt -109.68 139.12 45.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.5 -0.75 . . . . 0.0 110.422 -170.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.08 146.15 35.11 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.81 -0.556 . . . . 0.0 110.02 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.0 ptt180 -138.64 147.45 42.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.555 -0.716 . . . . 0.0 110.441 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -172.54 44.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.467 HG22 ' OD1' ' A' ' 10' ' ' ASN . 61.0 t -87.71 143.26 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.615 -0.932 . . . . 0.0 109.71 -177.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -80.9 139.88 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.597 -0.689 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.683 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.5 p -125.16 -36.22 2.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.596 -0.69 . . . . 0.0 111.545 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -138.58 145.79 41.02 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.031 -1.043 . . . . 0.0 111.068 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -149.07 127.48 12.25 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.872 -0.518 . . . . 0.0 109.603 172.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -122.06 122.09 38.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.639 -0.663 . . . . 0.0 110.116 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -68.78 -29.76 68.2 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.792 -0.568 . . . . 0.0 110.768 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -60.33 -47.54 85.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.545 -0.722 . . . . 0.0 110.94 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.99 9.07 8.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.569 -0.707 . . . . 0.0 111.252 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m 50.76 66.98 1.01 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.274 -0.891 . . . . 0.0 110.911 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.037 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -113.5 133.75 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -125.4 123.83 40.15 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.645 . . . . 0.0 110.353 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -101.25 128.38 47.41 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.774 173.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -110.94 120.01 40.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.827 -0.546 . . . . 0.0 109.935 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.6 ttt180 -98.06 126.26 43.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 109.857 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.18 147.65 26.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.601 -0.687 . . . . 0.0 110.84 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.39 -8.94 15.06 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.932 -0.48 . . . . 0.0 111.859 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.28 30.15 0.71 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.079 -1.013 . . . . 0.0 111.013 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 61.65 27.81 17.13 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.97 -1.081 . . . . 0.0 110.568 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 m -121.53 139.1 53.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.0 110.014 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -132.36 143.87 50.14 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.684 -0.635 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -144.09 141.99 30.36 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.803 -0.56 . . . . 0.0 110.509 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.2 p -106.32 121.06 43.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.75 -0.594 . . . . 0.0 109.92 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -129.56 131.5 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.643 -0.661 . . . . 0.0 109.503 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HD12 ' A' ' 34' ' ' ILE . 39.3 t -72.22 137.55 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 109.268 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.405 ' HB ' HD12 ' A' ' 52' ' ' ILE . 74.1 p -61.47 -24.5 66.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.545 -0.722 . . . . 0.0 111.408 -172.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -57.53 -24.83 58.24 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.366 -0.834 . . . . 0.0 110.982 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.27 8.98 21.8 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.483 -0.761 . . . . 0.0 111.317 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.862 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.6 mt -78.03 113.0 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.148 -0.97 . . . . 0.0 109.789 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -81.75 -39.55 23.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.064 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.8 m-20 -152.66 144.65 23.73 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.621 -0.674 . . . . 0.0 110.88 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -124.69 144.21 50.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.744 -0.597 . . . . 0.0 110.87 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.93 156.79 44.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.722 -0.611 . . . . 0.0 109.762 170.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -114.98 129.96 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.609 -0.682 . . . . 0.0 109.456 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.1 mt -82.07 120.93 78.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.639 -0.663 . . . . 0.0 109.817 -175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -61.93 140.48 85.14 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 O-C-N 123.294 1.155 . . . . 0.0 110.79 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.16 -60.66 1.68 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.727 -0.608 . . . . 0.0 110.071 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -140.61 -59.96 0.51 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.828 -0.545 . . . . 0.0 110.152 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -121.25 151.8 39.59 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.1 tt -146.15 53.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.654 -0.654 . . . . 0.0 110.163 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.7 mtp -114.12 158.64 38.96 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.611 -0.68 . . . . 0.0 110.16 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.31 -32.75 40.86 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 O-C-N 123.702 1.37 . . . . 0.0 110.509 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -112.54 125.05 53.83 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.7 -0.625 . . . . 0.0 110.204 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -120.76 148.61 43.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.247 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.78 47.73 8.43 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -64.77 -40.64 95.6 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.653 -0.91 . . . . 0.0 110.312 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -136.53 32.29 2.79 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.61 -0.681 . . . . 0.0 110.398 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -146.65 162.56 33.4 Favored Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.643 -0.66 . . . . 0.0 110.186 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -62.28 150.95 85.15 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 O-C-N 123.642 1.338 . . . . 0.0 110.656 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -68.6 153.6 43.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.712 -0.617 . . . . 0.0 110.194 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -125.7 140.15 52.95 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.607 -0.683 . . . . 0.0 110.16 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -103.52 150.93 23.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 110.075 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.2 t -102.47 136.0 43.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.732 -0.605 . . . . 0.0 110.176 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 79' ' ' LEU . 9.4 t -144.52 168.54 19.89 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.704 -0.622 . . . . 0.0 110.376 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.35 -31.93 72.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.647 -0.658 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 77' ' ' THR . 82.1 mt -87.5 146.8 25.65 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.697 -0.627 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -90.26 159.97 16.41 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.683 -0.636 . . . . 0.0 110.243 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.3 m -61.51 -31.04 71.02 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.669 -0.644 . . . . 0.0 110.637 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.57 -31.37 72.51 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.554 -0.716 . . . . 0.0 110.449 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -96.76 176.73 5.88 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.5 p -69.08 149.56 48.57 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.617 -0.677 . . . . 0.0 110.11 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -91.42 -61.23 1.69 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.651 -0.656 . . . . 0.0 110.227 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -150.33 131.86 14.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.653 . . . . 0.0 110.243 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -131.58 146.4 52.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.694 -0.629 . . . . 0.0 110.256 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -148.61 32.11 0.79 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -150.34 -47.35 0.13 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.573 -0.704 . . . . 0.0 110.102 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -97.98 163.54 12.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.762 -0.586 . . . . 0.0 110.201 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -95.2 142.74 27.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.629 -0.669 . . . . 0.0 110.167 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 m -67.83 155.09 40.13 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.734 -0.604 . . . . 0.0 110.249 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.2 mtm -119.98 150.77 39.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.76 -0.587 . . . . 0.0 110.223 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -93.83 144.86 25.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.47 124.17 40.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.707 -0.62 . . . . 0.0 110.114 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -66.24 -39.44 89.54 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.688 -0.632 . . . . 0.0 110.459 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -122.38 146.53 47.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.685 -0.634 . . . . 0.0 110.256 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -114.73 135.41 54.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.694 -0.629 . . . . 0.0 110.078 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -74.32 -31.95 62.65 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.649 -0.657 . . . . 0.0 110.414 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -84.93 128.88 34.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.609 -0.682 . . . . 0.0 110.042 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -123.74 161.41 25.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.621 -0.675 . . . . 0.0 110.335 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.35 155.67 18.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.72 -32.9 74.7 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.696 -0.628 . . . . 0.0 110.417 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -104.02 91.98 4.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.659 -0.65 . . . . 0.0 110.115 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -153.59 119.3 5.29 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.721 -0.612 . . . . 0.0 110.194 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -140.73 107.67 5.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.621 -0.674 . . . . 0.0 110.223 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 52.03 -174.44 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.676 -0.64 . . . . 0.0 111.104 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.79 149.01 42.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.699 -0.625 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 130.92 34.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.699 -0.626 . . . . 0.0 110.158 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 140.56 38.63 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.632 -0.668 . . . . 0.0 110.28 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -98.17 151.42 20.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.727 -0.608 . . . . 0.0 110.067 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -95.35 101.86 13.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.588 -0.695 . . . . 0.0 110.204 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.15 163.81 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.724 -0.61 . . . . 0.0 110.068 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -98.36 124.4 42.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.721 -0.612 . . . . 0.0 110.175 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 51.76 89.83 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.662 -0.649 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -70.25 -35.9 74.12 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.653 -0.654 . . . . 0.0 110.138 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.22 -39.97 86.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.643 -0.661 . . . . 0.0 110.443 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 52.98 -179.61 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.586 -0.696 . . . . 0.0 111.179 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.31 -39.48 78.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.629 -0.67 . . . . 0.0 110.096 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -138.35 131.23 29.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.358 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.66 0 N-CA-C 110.968 -0.853 . . . . 0.34000000000000002 110.968 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -87.2 155.43 20.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.117 -1.225 . . . . 1.1499999999999999 109.97 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -96.49 114.8 26.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.614 -0.679 . . . . 1.99 110.119 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.506 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -131.25 162.41 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.842 -0.536 . . . . 0.14999999999999999 109.591 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -118.77 146.04 45.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.565 -0.709 . . . . 0.93999999999999995 109.428 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.867 ' CG2' HG23 ' A' ' 52' ' ' ILE . 13.1 p -134.13 142.87 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.581 -0.7 . . . . 0.16 109.902 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.1 136.1 33.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.173 -1.011 . . . . 0.20999999999999999 109.419 168.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.15 174.24 9.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.7 -0.8 . . . . 0.17000000000000001 110.09 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -56.48 -22.01 29.61 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.688 -0.632 . . . . 0.66000000000000003 111.611 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -95.5 24.31 5.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.509 -0.744 . . . . 0.94999999999999996 110.971 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.19 26.2 13.5 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 110.762 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 p -96.98 142.01 29.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.27000000000000002 109.103 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB3' HD22 ' A' ' 14' ' ' LEU . 16.3 ptmt -109.9 139.27 45.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 2.2599999999999998 110.76 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.99 148.14 38.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.763 -0.585 . . . . 0.23999999999999999 110.018 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -135.59 153.35 51.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.513 -0.742 . . . . 2.1099999999999999 110.417 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.66 -179.36 48.76 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.491 -1.444 . . . . 0.23999999999999999 109.491 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.18 133.28 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.681 -0.893 . . . . 0.28000000000000003 109.382 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -65.71 136.9 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.598 -0.688 . . . . 0.33000000000000002 110.261 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.4 p -125.11 -16.53 6.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.965 -0.459 . . . . 0.56000000000000005 111.551 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -158.31 152.11 23.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.007 -1.058 . . . . 1.1299999999999999 111.134 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -149.03 133.26 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.561 -0.533 . . . . 0.46000000000000002 109.561 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.08 122.75 39.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.652 . . . . 1.04 109.881 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -73.61 -29.55 62.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.755 -0.59 . . . . 1.3100000000000001 110.778 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -63.73 -44.19 94.29 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.525 -0.735 . . . . 1.1299999999999999 110.788 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.03 6.92 8.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.526 -0.734 . . . . 1.6799999999999999 111.377 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m 51.88 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.284 -0.885 . . . . 0.97999999999999998 111.047 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 45.7 mm -116.65 132.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.547 -0.721 . . . . 0.23000000000000001 109.5 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 37' ' ' LEU . 11.0 tp -124.72 124.24 41.73 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.71 -0.619 . . . . 0.20999999999999999 110.307 -173.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -96.98 127.47 42.98 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.515 -0.55 . . . . 0.93000000000000005 109.515 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 35' ' ' LEU . 89.8 mt -110.96 125.23 53.48 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.789 -0.57 . . . . 0.35999999999999999 110.098 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 65.3 ttt180 -111.95 120.27 41.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.766 -0.584 . . . . 2.9199999999999999 109.965 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.1 tp -102.01 158.69 15.97 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.361 0.6 . . . . 0.47999999999999998 110.528 -173.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.04 -1.2 6.98 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.872 -0.518 . . . . 0.27000000000000002 112.142 -170.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -87.53 26.45 1.26 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.102 -0.999 . . . . 1.8899999999999999 110.822 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.1 27.82 17.59 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.109 -0.994 . . . . 1.95 110.465 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -122.49 137.45 54.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.462 -0.774 . . . . 0.35999999999999999 110.189 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -131.82 146.48 52.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.757 -0.59 . . . . 0.35999999999999999 110.212 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 47' ' ' ILE . 70.0 tttt -143.93 138.98 28.88 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.692 -0.63 . . . . 2.29 110.493 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.0 p -96.54 119.73 35.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.711 -0.618 . . . . 0.17000000000000001 109.988 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.9 mt -129.9 130.45 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.602 -0.686 . . . . 0.25 109.5 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 41.6 t -72.7 136.27 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.58 -0.7 . . . . 0.23000000000000001 109.116 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -63.29 -24.59 67.93 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 0.17999999999999999 111.401 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.69 -25.21 62.62 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.363 -0.836 . . . . 2.9300000000000002 110.741 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -89.46 13.06 14.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.461 -0.774 . . . . 0.23000000000000001 111.274 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.867 HG23 ' CG2' ' A' ' 13' ' ' VAL . 94.8 mt -77.03 112.97 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.175 -0.953 . . . . 0.16 109.677 172.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -40.0 29.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 120.103 -0.639 . . . . 1.9199999999999999 110.023 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.88 149.65 27.55 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.977 -0.689 . . . . 0.66000000000000003 110.864 -175.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 52' ' ' ILE . 15.7 mt -128.34 144.2 51.1 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.771 -0.581 . . . . 0.20999999999999999 110.99 -176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -146.96 159.06 44.01 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.731 -0.605 . . . . 1.47 109.819 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 HG12 ' A' ' 11' ' ' VAL . 65.3 mt -113.45 130.12 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.653 -0.654 . . . . 0.34000000000000002 109.331 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.497 1.918 0 O-C-N 121.565 -0.71 . . . . 0.52000000000000002 109.965 -176.405 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.696 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -87.16 148.03 25.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -1.201 . . . . 0.0 110.01 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -91.31 114.8 27.43 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.6 -0.687 . . . . 0.0 110.014 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 57' ' ' ILE . 26.9 m -131.84 164.49 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.783 -0.573 . . . . 0.0 109.545 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.0 tt0 -118.61 145.98 45.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.555 -0.716 . . . . 0.0 109.521 173.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.4 p -133.68 142.49 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.465 -0.772 . . . . 0.0 109.679 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.82 136.0 37.98 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.424 169.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.04 176.17 9.02 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.836 -0.746 . . . . 0.0 109.964 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.55 -22.46 44.76 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.718 -0.614 . . . . 0.0 111.481 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -100.7 25.49 7.81 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 111.234 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 59.05 26.06 14.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.175 -0.953 . . . . 0.0 110.952 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -98.13 132.91 43.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 167.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.7 ' HG2' HD22 ' A' ' 14' ' ' LEU . 42.3 mttt -109.74 135.92 49.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.55 -0.719 . . . . 0.0 110.358 -171.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.14 151.08 41.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.797 -0.565 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -136.61 157.43 46.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.559 -0.713 . . . . 0.0 110.263 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.92 48.56 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.1 132.59 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.894 . . . . 0.0 109.434 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.5 mt -65.56 137.14 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.698 -0.626 . . . . 0.0 110.244 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.728 HG21 ' HB2' ' A' ' 38' ' ' ARG . 29.6 p -125.2 -16.11 6.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.903 -0.498 . . . . 0.0 111.604 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -158.19 151.86 23.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.985 -1.072 . . . . 0.0 111.132 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -149.08 132.66 16.76 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -122.12 123.16 40.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 109.828 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -74.39 -29.46 61.54 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.798 -0.563 . . . . 0.0 110.755 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -64.08 -42.83 96.8 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 110.734 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.734 ' OD1' HD11 ' A' ' 34' ' ' ILE . 8.4 t-20 -124.0 5.09 8.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.566 -0.709 . . . . 0.0 111.463 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 52.11 67.1 1.03 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.116 -0.99 . . . . 0.0 111.091 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 46.2 mm -117.8 132.46 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.523 -0.735 . . . . 0.0 109.579 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.72 123.57 40.28 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.712 -0.618 . . . . 0.0 110.309 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.91 128.66 44.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.813 -0.555 . . . . 0.0 109.587 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -112.22 126.0 54.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.759 -0.588 . . . . 0.0 110.091 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.728 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.5 ttt85 -112.2 121.35 44.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.757 -0.589 . . . . 0.0 109.933 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.9 tp -102.02 158.0 16.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.536 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.38 -4.68 8.61 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.899 -0.5 . . . . 0.0 112.083 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.47 29.83 0.75 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.034 -1.041 . . . . 0.0 110.798 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.87 29.49 17.63 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.168 -0.957 . . . . 0.0 110.316 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.6 m -123.55 137.16 54.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.505 -0.747 . . . . 0.0 110.218 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -131.06 146.63 52.44 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.696 -0.627 . . . . 0.0 110.172 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HD2' HD11 ' A' ' 47' ' ' ILE . 36.9 ttmt -144.04 140.04 29.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.715 -0.616 . . . . 0.0 110.475 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -97.18 120.11 36.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.73 -0.606 . . . . 0.0 110.012 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 45' ' ' LYS . 80.1 mt -129.61 130.53 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.658 -0.651 . . . . 0.0 109.508 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 40.1 t -73.13 136.41 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -63.07 -24.57 67.97 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.557 -0.715 . . . . 0.0 111.346 -172.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.78 -25.28 62.93 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.278 -0.888 . . . . 0.0 111.039 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.11 10.53 18.93 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.489 -0.757 . . . . 0.0 111.289 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.6 mt -76.13 112.92 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.19 -0.944 . . . . 0.0 109.722 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -81.45 -39.6 24.6 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 120.091 -0.643 . . . . 0.0 110.146 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.6 m-20 -152.73 146.6 25.25 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.624 -0.673 . . . . 0.0 110.867 -173.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 52' ' ' ILE . 15.8 mt -127.81 144.24 51.09 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.696 -0.627 . . . . 0.0 110.892 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -149.04 159.0 44.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.737 -0.602 . . . . 0.0 109.819 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 11' ' ' VAL . 68.7 mt -110.76 130.1 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.57 -0.706 . . . . 0.0 109.423 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' GLU . 47.4 mt . . . . . 0 N--CA 1.497 1.892 0 O-C-N 121.618 -0.676 . . . . 0.0 110.097 -175.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.528 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 25' ' ' ILE . 75.3 p -87.17 150.0 24.25 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -1.179 . . . . 0.0 110.11 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -96.91 114.95 26.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.624 -0.672 . . . . 0.0 110.015 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 25' ' ' ILE . 30.6 m -129.68 163.9 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.856 -0.528 . . . . 0.0 109.6 178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 58' ' ' LEU . 48.7 tt0 -118.64 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 109.236 172.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.6 p -135.43 140.8 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.627 -0.671 . . . . 0.0 109.725 177.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -95.59 136.05 36.47 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.719 171.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 177.65 8.41 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.004 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -58.73 -21.56 55.53 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.704 -0.622 . . . . 0.0 111.539 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -99.17 24.26 8.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.415 -0.803 . . . . 0.0 111.139 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 58.16 25.63 12.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.297 -0.877 . . . . 0.0 110.776 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p -97.16 132.94 42.45 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.704 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.76 139.09 45.22 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.49 -171.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 148.54 38.68 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.801 -0.562 . . . . 0.0 110.046 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.558 ' O ' HD13 ' A' ' 39' ' ' LEU . 10.9 ptm180 -139.45 147.39 41.31 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.652 -0.655 . . . . 0.0 110.395 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -173.33 45.6 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.64 141.43 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.575 -0.956 . . . . 0.0 109.755 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG ' ' A' ' 9' ' ' SER . 96.2 mt -80.73 139.61 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.552 -0.717 . . . . 0.0 110.025 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.9 p -125.19 -36.16 2.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.738 -0.601 . . . . 0.0 111.483 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -139.28 150.14 45.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.139 -0.975 . . . . 0.0 111.063 -173.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -149.1 133.34 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.07 123.28 41.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.699 -0.626 . . . . 0.0 109.885 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -75.84 -30.51 58.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.775 -0.578 . . . . 0.0 110.727 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -66.82 -38.92 87.39 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.523 -0.736 . . . . 0.0 110.716 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.0 2.62 8.68 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.643 -0.66 . . . . 0.0 111.492 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 51.83 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 121.19 -0.943 . . . . 0.0 110.936 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.07 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.26 133.43 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.638 -0.664 . . . . 0.0 109.645 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -125.09 124.72 42.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.683 -0.635 . . . . 0.0 110.154 -174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -98.91 129.49 45.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.811 -0.556 . . . . 0.0 109.84 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.89 119.94 40.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.897 -0.502 . . . . 0.0 109.89 178.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.4 ttt85 -96.91 125.04 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.738 -0.601 . . . . 0.0 109.751 176.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.4 tp -102.1 151.05 22.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.709 -0.619 . . . . 0.0 110.773 -174.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.44 -8.45 13.57 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.9 -0.5 . . . . 0.0 111.941 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -86.01 29.74 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.111 -0.993 . . . . 0.0 111.049 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 60.56 27.5 17.18 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.93 -1.106 . . . . 0.0 110.492 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -121.62 141.68 50.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.423 -0.798 . . . . 0.0 110.119 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.76 144.12 51.14 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.658 -0.651 . . . . 0.0 110.191 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -144.03 138.51 28.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.624 -0.672 . . . . 0.0 110.315 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -99.38 122.98 43.27 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.778 -0.576 . . . . 0.0 109.989 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.9 mt -128.87 131.52 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.668 -0.645 . . . . 0.0 109.455 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.07 HG22 HD12 ' A' ' 34' ' ' ILE . 39.6 t -74.85 136.24 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.634 -0.667 . . . . 0.0 109.22 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.418 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.5 p -64.5 -24.53 67.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.61 -0.681 . . . . 0.0 111.473 -172.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.99 -24.72 59.32 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.256 -0.902 . . . . 0.0 110.825 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.51 9.5 20.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.481 -0.762 . . . . 0.0 111.368 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.9 mt -77.08 112.98 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.124 -0.985 . . . . 0.0 109.802 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -82.38 -39.95 22.0 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.219 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 m-20 -150.85 143.17 24.23 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.616 -0.678 . . . . 0.0 110.839 -173.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 52' ' ' ILE . 15.0 mt -123.5 144.18 49.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.732 -0.605 . . . . 0.0 110.878 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -147.68 159.02 44.25 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.744 -0.597 . . . . 0.0 110.01 170.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 11' ' ' VAL . 83.2 mt -113.46 130.01 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.606 -0.684 . . . . 0.0 109.356 176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 12' ' ' GLU . 42.1 mt . . . . . 0 N--CA 1.497 1.902 0 O-C-N 121.588 -0.695 . . . . 0.0 109.953 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.585 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -87.18 141.6 28.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.255 -1.144 . . . . 0.0 110.081 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.39 114.8 27.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.603 -0.685 . . . . 0.0 109.621 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -133.94 163.86 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.675 -0.64 . . . . 0.0 109.939 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.9 tt0 -118.67 146.13 44.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.539 -0.726 . . . . 0.0 109.557 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.86 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.13 142.51 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.772 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.82 136.12 36.66 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.461 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.71 176.51 8.91 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.101 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -56.66 -22.62 35.91 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.696 -0.628 . . . . 0.0 111.461 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -100.22 25.45 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.532 -0.73 . . . . 0.0 111.019 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.13 25.83 12.94 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.294 -0.879 . . . . 0.0 110.742 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -93.78 132.97 37.65 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HG2' HD22 ' A' ' 14' ' ' LEU . 33.7 mttp -109.71 135.93 49.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.483 -171.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 153.0 43.79 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.792 -0.568 . . . . 0.0 109.822 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.552 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.2 ptt180 -143.24 152.79 42.11 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.566 -0.709 . . . . 0.0 110.668 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.85 -174.74 46.83 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.17 130.37 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.59 -0.947 . . . . 0.0 109.78 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 37' ' ' LEU . 90.1 mt -69.61 141.81 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.663 -0.648 . . . . 0.0 110.027 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.19 -36.1 2.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.72 -0.613 . . . . 0.0 111.504 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -141.05 150.56 43.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.099 -1.001 . . . . 0.0 111.103 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -149.11 133.25 17.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.05 121.22 36.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.706 -0.622 . . . . 0.0 109.899 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -70.82 -26.15 63.17 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.869 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 t -61.52 -49.63 75.95 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.431 -0.793 . . . . 0.0 110.773 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.766 ' OD1' HD11 ' A' ' 34' ' ' ILE . 10.1 t-20 -124.04 10.79 8.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.584 -0.698 . . . . 0.0 111.342 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m 51.31 67.0 1.02 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.252 -0.905 . . . . 0.0 111.177 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.067 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -115.79 131.81 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.471 -0.768 . . . . 0.0 109.684 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.34 123.7 41.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.785 -0.572 . . . . 0.0 110.242 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.04 127.68 43.25 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.793 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.2 mt -110.94 119.95 40.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.844 -0.535 . . . . 0.0 109.971 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.665 ' HB2' HG21 ' A' ' 26' ' ' THR . 6.1 tmm_? -97.79 124.76 42.29 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.674 -0.641 . . . . 0.0 109.822 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.09 149.69 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.694 -0.629 . . . . 0.0 110.835 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.85 -9.27 14.1 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.973 -0.455 . . . . 0.0 111.847 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.75 31.03 0.62 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.144 -0.973 . . . . 0.0 110.978 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 57.89 29.45 17.59 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.03 -1.043 . . . . 0.0 110.335 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -121.62 141.17 51.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.069 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -128.77 142.84 50.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.619 -0.676 . . . . 0.0 110.175 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -144.04 137.5 27.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.322 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.0 p -99.19 122.71 42.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.697 -0.627 . . . . 0.0 109.976 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -128.29 134.89 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 109.481 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.067 HG22 HD12 ' A' ' 34' ' ' ILE . 40.5 t -78.79 135.92 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.614 -0.679 . . . . 0.0 109.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.41 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.6 p -63.57 -24.6 67.87 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.585 -0.697 . . . . 0.0 111.351 -172.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -58.29 -25.09 61.42 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.362 -0.836 . . . . 0.0 110.799 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -87.84 10.13 19.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.467 -0.771 . . . . 0.0 111.413 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.86 HG23 ' CG2' ' A' ' 13' ' ' VAL . 82.2 mt -78.52 112.97 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.213 -0.929 . . . . 0.0 109.831 174.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -82.04 -39.61 23.25 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.149 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.5 m-20 -152.42 145.23 24.36 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.892 -173.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 52' ' ' ILE . 15.5 mt -125.54 144.24 50.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.764 -0.585 . . . . 0.0 110.788 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -147.59 159.02 44.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.6 -0.688 . . . . 0.0 109.824 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 HG12 ' A' ' 11' ' ' VAL . 83.1 mt -112.89 130.06 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.614 -0.679 . . . . 0.0 109.411 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 12' ' ' GLU . 71.0 mt . . . . . 0 N--CA 1.497 1.909 0 O-C-N 121.691 -0.63 . . . . 0.0 110.129 -176.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.588 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -87.19 149.07 24.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.232 -1.158 . . . . 0.0 110.113 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.65 114.86 26.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 109.949 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 25' ' ' ILE . 27.1 m -129.48 162.24 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.762 -0.586 . . . . 0.0 109.754 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.0 tt0 -118.68 146.02 45.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.578 -0.701 . . . . 0.0 109.706 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.868 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.7 p -133.49 143.27 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 110.019 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.76 136.07 34.42 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.356 167.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.16 175.46 8.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.868 174.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.75 -20.61 36.13 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.713 -0.617 . . . . 0.0 111.589 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -95.16 23.74 5.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.434 -0.791 . . . . 0.0 111.031 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.56 25.76 13.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.39 -0.819 . . . . 0.0 110.783 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -100.9 143.35 31.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.516 -0.74 . . . . 0.0 109.172 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HB3' HD22 ' A' ' 14' ' ' LEU . 30.3 pttt -109.9 141.12 43.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.525 -0.735 . . . . 0.0 110.964 -174.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.36 146.26 44.3 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.811 -0.556 . . . . 0.0 109.882 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.564 ' O ' HD13 ' A' ' 39' ' ' LEU . 9.1 ptm180 -138.39 144.51 40.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.525 -0.735 . . . . 0.0 110.578 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -175.0 47.06 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.82 138.3 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.72 -0.871 . . . . 0.0 109.742 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 89.8 mt -80.49 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.587 -0.696 . . . . 0.0 110.112 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.541 HG21 ' CG ' ' A' ' 38' ' ' ARG . 39.7 p -125.22 -36.17 2.54 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.723 -0.611 . . . . 0.0 111.638 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.131 -0.98 . . . . 0.0 111.166 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -149.13 129.47 13.79 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.07 121.53 37.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.742 -0.599 . . . . 0.0 110.03 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.5 m -69.41 -29.96 67.81 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.746 -0.597 . . . . 0.0 110.696 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -60.33 -47.58 85.45 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 0.0 110.941 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.719 ' ND2' HD11 ' A' ' 34' ' ' ILE . 65.4 t30 -123.98 8.96 8.7 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 111.359 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m 51.27 67.05 1.01 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.047 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.99 134.58 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.0 109.728 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.407 HD11 HG23 ' A' ' 25' ' ' ILE . 11.9 tp -124.59 125.42 44.14 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 110.212 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -102.92 129.0 49.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.737 -0.602 . . . . 0.0 109.89 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.88 122.25 47.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.851 -0.53 . . . . 0.0 110.191 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.541 ' CG ' HG21 ' A' ' 26' ' ' THR . 10.4 mmt85 -95.17 124.22 39.09 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.741 -0.6 . . . . 0.0 109.715 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.9 tp -102.08 149.52 24.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.763 -0.585 . . . . 0.0 110.777 -174.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.48 -7.55 14.88 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.953 -0.467 . . . . 0.0 111.919 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.83 28.68 0.87 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.039 -1.038 . . . . 0.0 110.981 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 t0 61.21 28.02 17.67 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.958 -1.089 . . . . 0.0 110.466 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.2 m -118.71 143.96 46.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.341 -0.849 . . . . 0.0 110.267 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -123.18 145.86 48.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.674 -0.641 . . . . 0.0 110.085 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -144.1 141.96 30.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.639 -0.663 . . . . 0.0 110.65 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.0 p -115.88 116.89 28.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.812 -0.555 . . . . 0.0 109.833 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.24 131.22 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 109.516 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.047 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.37 136.72 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.618 -0.676 . . . . 0.0 109.25 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 52' ' ' ILE . 75.0 p -62.4 -24.6 67.48 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.606 -0.684 . . . . 0.0 111.433 -172.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -57.25 -25.07 58.57 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.25 -0.906 . . . . 0.0 111.039 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -87.44 9.46 20.72 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.388 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.868 HG23 ' CG2' ' A' ' 13' ' ' VAL . 84.5 mt -78.87 113.0 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.181 -0.949 . . . . 0.0 109.792 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -81.57 -38.78 25.58 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.154 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.2 m-20 -153.35 147.94 26.18 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.853 -175.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 52' ' ' ILE . 16.1 mt -127.77 144.15 51.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.779 -0.576 . . . . 0.0 110.898 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -146.28 159.02 43.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.73 -0.606 . . . . 0.0 109.722 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 HG12 ' A' ' 11' ' ' VAL . 78.4 mt -113.39 130.05 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.458 -0.776 . . . . 0.0 109.379 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.8 mt . . . . . 0 N--CA 1.497 1.884 0 O-C-N 121.751 -0.593 . . . . 0.0 110.039 -174.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.54 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.418 ' OG ' HD12 ' A' ' 25' ' ' ILE . 71.9 p -87.17 152.98 21.86 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.121 -1.223 . . . . 0.0 110.004 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.482 ' ND2' HG22 ' A' ' 24' ' ' VAL . 5.7 m120 -96.89 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.746 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.86 161.09 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.685 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -118.65 145.64 45.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.493 -0.754 . . . . 0.0 109.415 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.859 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.0 141.91 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.522 -0.736 . . . . 0.0 109.666 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.71 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.4 136.05 37.43 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.499 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.22 176.07 9.0 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.856 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.7 -22.04 44.02 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.741 -0.599 . . . . 0.0 111.552 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -100.48 25.96 7.17 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.467 -0.77 . . . . 0.0 111.284 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.77 25.91 14.07 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.282 -0.886 . . . . 0.0 110.941 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.4 p -99.41 132.92 44.41 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' HD22 ' A' ' 14' ' ' LEU . 74.6 mttt -109.74 138.21 46.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.607 -0.683 . . . . 0.0 110.403 -171.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 146.78 35.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.705 -0.622 . . . . 0.0 110.1 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.5 ptm180 -137.5 149.85 47.11 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.61 -0.681 . . . . 0.0 110.467 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.75 -172.05 44.29 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.0 t -90.03 140.83 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.576 -0.955 . . . . 0.0 109.606 -178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.746 HD11 HG21 ' A' ' 11' ' ' VAL . 93.5 mt -80.48 139.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.614 -0.679 . . . . 0.0 109.967 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.687 HG21 ' HB2' ' A' ' 38' ' ' ARG . 37.4 p -125.14 -36.14 2.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.611 -0.681 . . . . 0.0 111.589 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -137.03 146.71 45.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.987 . . . . 0.0 111.08 -172.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -121.98 121.0 36.06 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.661 -0.649 . . . . 0.0 109.981 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -69.95 -32.24 70.39 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.737 -0.602 . . . . 0.0 110.7 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -62.35 -44.63 96.03 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.525 -0.735 . . . . 0.0 110.846 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 11.11 8.89 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 111.346 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.3 p 46.7 66.71 0.92 Allowed 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.546 -0.722 . . . . 0.0 111.558 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.013 HD12 HG22 ' A' ' 48' ' ' VAL . 45.2 mm -115.02 133.3 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.46 -0.775 . . . . 0.0 109.713 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.88 124.87 42.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.747 -0.596 . . . . 0.0 110.275 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -102.39 129.39 48.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.789 -0.569 . . . . 0.0 109.798 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 25' ' ' ILE . 60.1 mt -110.94 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.75 -0.594 . . . . 0.0 109.997 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.687 ' HB2' HG21 ' A' ' 26' ' ' THR . 41.9 ttm180 -96.74 125.16 41.0 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.828 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.0 tp -102.06 148.81 24.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.6 -0.687 . . . . 0.0 110.851 -174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -9.63 15.21 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.895 -0.503 . . . . 0.0 111.767 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.63 31.08 0.61 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.087 -1.008 . . . . 0.0 111.005 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.11 29.42 17.82 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.123 -0.986 . . . . 0.0 110.436 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -121.28 140.48 52.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -129.62 144.96 51.51 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.72 -0.613 . . . . 0.0 110.23 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -144.01 142.11 30.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.708 -0.62 . . . . 0.0 110.499 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -107.68 120.87 43.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.746 -0.596 . . . . 0.0 109.886 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.36 129.98 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.013 HG22 HD12 ' A' ' 34' ' ' ILE . 36.8 t -71.67 137.44 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.281 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -62.18 -24.46 67.21 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.6 -0.687 . . . . 0.0 111.423 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.6 -25.53 60.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.252 -0.905 . . . . 0.0 110.891 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.44 9.61 20.24 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.511 -0.743 . . . . 0.0 111.31 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.859 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.01 112.94 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.185 -0.947 . . . . 0.0 109.786 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -81.83 -39.01 24.62 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.157 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 m-20 -153.1 146.28 24.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.6 -0.688 . . . . 0.0 110.961 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD11 HG21 ' A' ' 52' ' ' ILE . 15.3 mt -127.17 144.2 51.09 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.834 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -149.01 159.08 44.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.649 -0.657 . . . . 0.0 110.057 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 11' ' ' VAL . 82.3 mt -111.58 129.95 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.599 -0.688 . . . . 0.0 109.282 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt . . . . . 0 N--CA 1.499 2.013 0 O-C-N 121.627 -0.67 . . . . 0.0 110.336 -173.43 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . 0 N--CA 1.496 2.684 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -87.11 156.07 19.87 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.185 -1.186 . . . . 0.0 110.158 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -96.96 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.707 -0.621 . . . . 0.0 110.129 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.27 163.23 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -118.68 146.04 45.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.541 -0.724 . . . . 0.0 109.247 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -133.57 142.71 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 109.648 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.64 136.04 37.73 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.43 169.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -82.84 176.98 8.88 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.984 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.54 -21.89 41.1 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.723 -0.611 . . . . 0.0 111.516 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -102.63 27.41 6.94 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.406 -0.809 . . . . 0.0 111.16 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.7 26.06 14.14 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.149 -0.97 . . . . 0.0 110.902 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -97.69 134.94 40.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.4 mtmm -109.7 138.34 46.22 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.436 -171.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 145.76 34.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.768 -0.583 . . . . 0.0 110.083 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.6 ptt180 -138.03 148.14 44.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.603 -0.686 . . . . 0.0 110.67 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.77 -173.65 45.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.201 -1.559 . . . . 0.0 109.201 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -91.83 139.57 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.564 -0.962 . . . . 0.0 109.766 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 89.6 mt -81.9 135.19 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.632 -0.667 . . . . 0.0 109.944 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.0 p -125.23 -36.2 2.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.616 -0.678 . . . . 0.0 111.845 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 35' ' ' LEU . 25.5 t30 -140.98 155.12 46.28 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.944 -1.098 . . . . 0.0 111.247 -171.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -149.14 140.54 23.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.915 -0.491 . . . . 0.0 109.695 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -122.08 121.39 36.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.742 -0.599 . . . . 0.0 109.81 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -73.23 -29.88 63.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.755 -0.591 . . . . 0.0 110.698 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -64.73 -43.59 92.88 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.583 -0.698 . . . . 0.0 110.787 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -124.06 6.94 8.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.515 -0.74 . . . . 0.0 111.471 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m 51.38 67.01 1.02 Allowed 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.209 -0.932 . . . . 0.0 111.07 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.036 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -120.86 131.95 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 25' ' ' ILE . 8.8 tp -118.84 129.25 55.12 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.668 -0.645 . . . . 0.0 110.163 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -96.97 129.57 44.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.713 -0.617 . . . . 0.0 109.696 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -110.87 119.98 40.87 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.821 -0.549 . . . . 0.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.1 ttt180 -95.64 123.91 39.42 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.805 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 22' ' ' ARG . 21.5 tp -102.03 151.74 21.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.718 -0.614 . . . . 0.0 110.83 -174.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.43 -5.98 12.94 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.89 -0.506 . . . . 0.0 111.92 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.81 28.14 0.92 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.119 -0.988 . . . . 0.0 110.924 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 t70 60.95 27.63 17.48 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.978 -1.076 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 m -121.15 143.99 48.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.411 -0.806 . . . . 0.0 110.171 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -126.67 144.6 50.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.721 -0.612 . . . . 0.0 110.061 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -143.98 140.66 29.75 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.693 -0.63 . . . . 0.0 110.361 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.2 p -101.21 123.2 44.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.739 -0.601 . . . . 0.0 110.031 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.25 130.92 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 109.356 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.036 HG22 HD12 ' A' ' 34' ' ' ILE . 26.8 t -73.31 138.42 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.646 -0.659 . . . . 0.0 109.403 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 p -73.96 -24.85 59.68 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.613 -0.679 . . . . 0.0 111.357 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -61.15 -25.12 66.78 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.21 -0.931 . . . . 0.0 110.833 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.51 11.39 17.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.384 -0.823 . . . . 0.0 111.268 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.8 mt -72.39 112.94 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 173.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -80.56 -39.77 27.08 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.169 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 m-20 -153.12 145.83 24.31 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.907 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -126.97 144.26 51.06 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.709 -0.619 . . . . 0.0 110.983 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -149.08 159.06 44.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.77 -0.581 . . . . 0.0 110.022 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 11' ' ' VAL . 79.9 mt -110.3 129.99 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.595 -0.691 . . . . 0.0 109.339 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 22' ' ' ARG . 45.3 mt . . . . . 0 N--CA 1.499 1.999 0 O-C-N 121.659 -0.651 . . . . 0.0 110.164 -175.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.528 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -87.31 144.15 26.92 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.196 -1.179 . . . . 0.0 110.089 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -91.62 114.79 27.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.93 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 57' ' ' ILE . 27.2 m -131.2 161.31 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.65 146.12 44.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.59 -0.694 . . . . 0.0 109.56 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.873 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -132.91 143.45 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 109.74 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.744 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.83 136.14 37.8 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.294 168.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.36 178.42 8.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.989 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -57.35 -22.43 42.34 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.776 -0.577 . . . . 0.0 111.563 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -100.27 24.66 8.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.522 -0.736 . . . . 0.0 111.196 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.86 25.8 12.48 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.29 -0.882 . . . . 0.0 110.683 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -96.19 133.06 40.96 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.744 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.3 mtmm -109.68 135.88 49.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.545 -0.722 . . . . 0.0 110.477 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.07 151.95 42.86 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.854 -0.529 . . . . 0.0 109.944 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -136.08 158.38 44.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.468 -0.77 . . . . 0.0 110.165 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.437 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.43 48.44 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.96 127.84 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.705 -0.88 . . . . 0.0 109.487 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 35' ' ' LEU . 82.1 mt -66.22 137.31 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.684 -0.635 . . . . 0.0 110.256 -175.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.9 p -125.07 -35.97 2.59 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.776 -0.578 . . . . 0.0 111.433 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -139.75 151.32 45.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -149.14 135.44 19.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.932 -0.48 . . . . 0.0 109.734 174.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -122.03 118.84 29.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.789 -0.57 . . . . 0.0 110.034 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -67.68 -30.18 69.65 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.796 -0.565 . . . . 0.0 110.719 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.9 m -61.13 -49.87 75.5 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.541 -0.724 . . . . 0.0 110.83 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.642 ' ND2' HD11 ' A' ' 34' ' ' ILE . 61.1 t30 -124.06 15.82 9.21 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.553 -0.717 . . . . 0.0 111.258 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 p 46.65 67.0 0.84 Allowed 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.653 -0.655 . . . . 0.0 111.663 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.007 HD12 HG22 ' A' ' 48' ' ' VAL . 44.3 mm -115.01 130.27 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 109.597 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 25' ' ' ILE . 9.7 tp -121.74 125.64 47.05 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.804 -0.56 . . . . 0.0 110.337 -174.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -96.98 127.37 42.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.799 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' ILE . 55.4 mt -110.94 119.97 40.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.785 -0.572 . . . . 0.0 109.935 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.1 ttt-85 -101.3 120.67 40.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.682 -0.636 . . . . 0.0 109.94 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 HD13 ' HA2' ' A' ' 23' ' ' GLY . 62.1 tp -102.07 154.58 18.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.73 -0.606 . . . . 0.0 110.568 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.65 -0.31 6.67 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.867 -0.521 . . . . 0.0 112.148 -171.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -88.05 26.64 1.33 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.975 -1.078 . . . . 0.0 110.741 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.52 27.79 17.22 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.091 -1.006 . . . . 0.0 110.465 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -121.94 140.1 52.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.474 -0.766 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.2 144.66 51.29 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.777 -0.577 . . . . 0.0 110.034 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 47' ' ' ILE . 54.1 tttm -143.84 136.44 27.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 0.0 110.399 -177.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.8 p -96.74 120.55 37.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.892 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.427 HD11 ' HD3' ' A' ' 45' ' ' LYS . 82.1 mt -127.88 129.93 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.461 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.007 HG22 HD12 ' A' ' 34' ' ' ILE . 30.2 t -72.3 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.649 -0.657 . . . . 0.0 109.243 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 70.6 p -65.35 -24.64 67.3 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.552 -0.718 . . . . 0.0 111.294 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -58.58 -26.11 63.27 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.235 -0.916 . . . . 0.0 110.89 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -88.5 12.32 14.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.769 . . . . 0.0 111.307 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.873 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.2 mt -77.86 112.89 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.149 -0.969 . . . . 0.0 109.68 172.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -84.99 -35.56 21.89 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.525 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.9 m-20 -152.48 146.72 25.5 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.933 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 52' ' ' ILE . 15.1 mt -128.42 144.25 51.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.863 -177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -147.42 159.05 44.15 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.76 -0.588 . . . . 0.0 109.888 171.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.521 HG12 HG12 ' A' ' 11' ' ' VAL . 72.1 mt -113.18 129.99 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.601 -0.687 . . . . 0.0 109.32 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.1 mt . . . . . 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 110.025 -175.567 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.501 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -87.12 144.72 26.74 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.211 -1.17 . . . . 0.0 110.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.02 114.92 27.19 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 25' ' ' ILE . 32.4 m -131.09 162.62 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.864 -0.523 . . . . 0.0 109.673 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.5 141.6 48.4 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.679 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.831 ' CG2' HG23 ' A' ' 52' ' ' ILE . 7.5 p -129.63 133.67 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.707 -0.621 . . . . 0.0 109.518 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.699 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -89.74 136.01 33.29 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.673 174.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.16 176.14 8.98 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.04 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -58.05 -22.2 49.01 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.731 -0.606 . . . . 0.0 111.52 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.99 25.58 7.24 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -0.772 . . . . 0.0 111.277 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.88 25.84 14.14 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.197 -0.939 . . . . 0.0 110.9 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -100.11 132.91 45.19 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 168.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.699 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.96 139.78 44.68 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.364 -171.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.95 144.7 33.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.748 -0.595 . . . . 0.0 110.042 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 39' ' ' LEU . 15.4 ptp180 -131.62 150.29 52.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.583 -0.698 . . . . 0.0 110.273 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.87 -171.93 44.12 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.17 130.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.675 -0.897 . . . . 0.0 109.705 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 11' ' ' VAL . 85.4 mt -73.01 140.37 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.538 -0.727 . . . . 0.0 110.014 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.721 HG21 ' HG3' ' A' ' 38' ' ' ARG . 37.0 p -125.18 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.652 -0.655 . . . . 0.0 111.549 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.28 147.42 45.66 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.137 -0.977 . . . . 0.0 111.074 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -149.1 127.68 12.38 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.13 127.01 49.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.65 -0.656 . . . . 0.0 109.879 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -75.16 -32.24 61.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.791 -0.568 . . . . 0.0 110.748 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -37.39 87.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.527 -0.733 . . . . 0.0 110.755 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -124.09 -0.0 8.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.645 -0.659 . . . . 0.0 111.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m 50.92 66.88 1.04 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.165 -0.959 . . . . 0.0 110.877 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.8 mm -120.37 137.47 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.623 -0.673 . . . . 0.0 109.775 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 25' ' ' ILE . 10.5 tp -124.35 125.77 44.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.68 -0.637 . . . . 0.0 110.273 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -101.57 128.85 47.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.788 -0.57 . . . . 0.0 109.892 174.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.98 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.914 -0.491 . . . . 0.0 110.06 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.721 ' HG3' HG21 ' A' ' 26' ' ' THR . 58.0 mtt-85 -96.35 125.42 40.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.604 -0.685 . . . . 0.0 109.92 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.7 tp -102.11 148.35 25.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.724 -0.61 . . . . 0.0 110.792 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -9.81 16.45 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.807 -0.558 . . . . 0.0 111.881 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.21 30.68 0.67 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.152 -0.967 . . . . 0.0 111.014 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 60.47 27.44 17.07 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.961 -1.087 . . . . 0.0 110.511 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -120.08 142.3 49.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.431 -0.793 . . . . 0.0 110.15 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.92 144.47 51.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.668 -0.645 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 47' ' ' ILE . 40.9 tttp -144.03 132.54 22.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.709 -0.62 . . . . 0.0 110.247 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.6 p -102.1 120.98 41.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.675 -0.64 . . . . 0.0 109.93 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HD3' ' A' ' 45' ' ' LYS . 80.0 mt -129.18 136.9 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 109.333 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 38.0 t -77.91 136.09 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.446 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -63.61 -24.49 67.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.596 -0.69 . . . . 0.0 111.357 -172.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -58.19 -25.0 61.04 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.806 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.72 10.01 19.69 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.486 -0.759 . . . . 0.0 111.401 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.831 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.7 mt -75.45 112.99 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.181 -0.949 . . . . 0.0 109.776 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -80.94 -40.29 24.76 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.114 171.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -152.62 143.43 22.89 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.869 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -122.06 144.19 49.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.771 -0.58 . . . . 0.0 110.679 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.441 HH21 HD21 ' A' ' 58' ' ' LEU . 13.7 ptt180 -146.77 154.65 41.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 169.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.479 HG12 HG12 ' A' ' 11' ' ' VAL . 69.0 mt -115.08 130.06 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.61 -0.681 . . . . 0.0 109.599 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD21 HH21 ' A' ' 56' ' ' ARG . 47.2 mt . . . . . 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.884 -178.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.59 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.08 142.23 28.08 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.202 -1.175 . . . . 0.0 110.078 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.52 114.93 27.41 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.617 -0.677 . . . . 0.0 109.961 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 25' ' ' ILE . 28.5 m -129.16 161.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.847 -0.533 . . . . 0.0 109.627 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -118.67 146.08 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 109.471 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.851 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -134.63 142.78 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.645 -0.659 . . . . 0.0 109.935 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.91 136.06 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.395 168.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 51' ' ' ASP . 85.8 mt -87.26 173.71 9.03 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.938 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -14.93 11.68 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.846 -0.534 . . . . 0.0 111.907 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -95.92 22.76 7.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.275 -0.89 . . . . 0.0 111.023 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.87 25.98 12.72 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.323 -0.861 . . . . 0.0 110.748 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -103.34 145.88 29.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.538 -0.726 . . . . 0.0 109.304 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 14' ' ' LEU . 24.9 pttt -109.95 142.22 41.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.489 -0.757 . . . . 0.0 110.823 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.59 39.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.769 -0.582 . . . . 0.0 109.838 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.568 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.8 ptt85 -136.95 144.61 43.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.536 -0.728 . . . . 0.0 110.709 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -174.39 46.53 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -89.66 142.55 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.643 -0.916 . . . . 0.0 109.695 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 11' ' ' VAL . 81.8 mt -83.1 139.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.654 -0.654 . . . . 0.0 109.967 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' ' 38' ' ' ARG . 38.8 p -125.07 -36.07 2.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.641 -0.662 . . . . 0.0 111.516 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -136.49 145.94 45.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.136 -0.977 . . . . 0.0 111.041 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -149.08 128.52 13.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.791 -0.568 . . . . 0.0 109.612 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -122.1 120.03 33.07 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.65 -0.656 . . . . 0.0 109.868 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -67.93 -30.87 70.29 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.836 -0.54 . . . . 0.0 110.815 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -61.08 -53.41 57.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.469 -0.769 . . . . 0.0 110.851 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -114.24 6.23 16.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.684 -0.635 . . . . 0.0 111.396 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m 51.55 67.06 1.02 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.233 -0.917 . . . . 0.0 110.905 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -114.8 134.93 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.533 -0.729 . . . . 0.0 109.696 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -126.38 124.82 41.07 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.718 -0.614 . . . . 0.0 110.369 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -102.17 129.57 48.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.782 -0.574 . . . . 0.0 109.779 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.95 121.71 46.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.844 -0.535 . . . . 0.0 110.009 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.682 ' HB2' HG21 ' A' ' 26' ' ' THR . 29.3 ttm180 -97.51 123.85 41.53 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.724 -0.61 . . . . 0.0 109.783 176.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.9 tp -102.14 149.93 23.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.665 -0.647 . . . . 0.0 110.781 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -9.51 13.97 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.934 -0.479 . . . . 0.0 111.798 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.59 31.0 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.036 -1.04 . . . . 0.0 110.997 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.95 29.27 17.39 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.021 -1.05 . . . . 0.0 110.379 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -121.73 141.7 50.92 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.539 -0.726 . . . . 0.0 110.097 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -128.27 144.06 51.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.682 -0.636 . . . . 0.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.54 142.04 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.655 -0.653 . . . . 0.0 110.614 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -108.83 119.19 38.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.811 -0.556 . . . . 0.0 109.952 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -130.08 131.54 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 109.484 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 34' ' ' ILE . 39.5 t -72.14 137.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -62.32 -24.42 67.31 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.593 -0.692 . . . . 0.0 111.404 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -57.13 -25.0 58.12 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.311 -0.868 . . . . 0.0 110.845 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 15' ' ' LEU . 4.6 p30 -87.58 9.81 19.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.508 -0.745 . . . . 0.0 111.377 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.851 HG23 ' CG2' ' A' ' 13' ' ' VAL . 89.7 mt -78.77 113.0 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.94 -40.08 28.87 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.987 171.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.77 148.72 26.66 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.603 -0.685 . . . . 0.0 110.933 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 52' ' ' ILE . 15.2 mt -127.08 144.17 51.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.705 -0.622 . . . . 0.0 111.023 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -146.96 159.04 44.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.666 -0.646 . . . . 0.0 109.946 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.529 HG12 HG12 ' A' ' 11' ' ' VAL . 75.9 mt -113.95 130.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.568 -0.708 . . . . 0.0 109.212 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt . . . . . 0 N--CA 1.497 1.923 0 O-C-N 121.602 -0.686 . . . . 0.0 110.065 -174.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.506 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.27 146.41 25.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.157 -1.202 . . . . 0.0 110.044 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.519 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.7 m120 -91.87 114.85 27.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.585 -0.697 . . . . 0.0 109.916 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.598 HG12 HG12 ' A' ' 57' ' ' ILE . 31.3 m -130.51 158.75 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -118.65 144.21 46.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.556 -0.715 . . . . 0.0 109.188 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.8 p -132.87 141.02 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.618 -0.676 . . . . 0.0 109.714 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.703 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.36 136.06 36.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.036 -1.065 . . . . 0.0 109.479 170.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.62 176.06 8.84 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.94 -21.22 42.92 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -102.28 31.28 4.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.0 110.686 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 52.84 27.03 5.01 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.751 -0.593 . . . . 0.0 111.201 167.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -102.65 132.9 48.45 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.703 ' HG2' HD22 ' A' ' 14' ' ' LEU . 44.0 mttt -109.8 137.23 47.89 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.394 -168.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 152.84 43.71 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.81 -0.556 . . . . 0.0 110.092 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.42 160.18 39.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.561 -0.712 . . . . 0.0 110.067 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.64 -173.53 45.85 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.519 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.5 t -94.57 129.43 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.597 -0.943 . . . . 0.0 109.39 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 HG21 ' A' ' 11' ' ' VAL . 82.9 mt -67.21 137.6 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.653 -0.654 . . . . 0.0 110.058 -177.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.706 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.1 p -125.1 -36.13 2.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.764 -0.585 . . . . 0.0 111.463 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -138.26 147.8 44.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -149.11 130.86 15.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.813 -0.555 . . . . 0.0 109.671 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.02 122.16 38.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.697 -0.627 . . . . 0.0 110.029 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.86 -26.06 63.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 110.82 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -49.06 78.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.412 -0.805 . . . . 0.0 110.777 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 9.99 8.78 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.599 -0.688 . . . . 0.0 111.267 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 51.14 67.03 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.249 -0.907 . . . . 0.0 110.992 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.071 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.73 131.83 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.555 -0.716 . . . . 0.0 109.713 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 tp -122.96 124.6 43.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.722 -0.611 . . . . 0.0 110.307 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.19 128.79 45.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.805 -0.559 . . . . 0.0 109.773 173.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.94 120.57 42.82 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.79 -0.569 . . . . 0.0 109.934 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.706 ' HB2' HG21 ' A' ' 26' ' ' THR . 69.2 ttp85 -103.17 121.42 42.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.705 -0.622 . . . . 0.0 109.946 178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD13 ' HA2' ' A' ' 23' ' ' GLY . 60.4 tp -102.05 153.82 19.55 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.68 -174.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.36 -6.52 10.31 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.955 -0.465 . . . . 0.0 112.054 -171.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -86.4 30.66 0.69 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.018 -1.051 . . . . 0.0 110.87 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.92 29.04 17.0 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.154 -0.966 . . . . 0.0 110.444 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -122.49 138.02 54.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.502 -0.749 . . . . 0.0 110.012 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -130.1 144.63 51.45 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.683 -0.636 . . . . 0.0 110.154 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -140.76 142.07 34.78 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.631 -0.668 . . . . 0.0 110.603 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -103.43 119.46 38.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.796 -0.565 . . . . 0.0 109.916 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.91 129.74 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.449 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.071 HG22 HD12 ' A' ' 34' ' ' ILE . 38.5 t -71.7 136.66 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.3 p -62.07 -24.58 67.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.629 -0.669 . . . . 0.0 111.323 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.12 -25.69 64.07 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.323 -0.861 . . . . 0.0 110.833 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.17 10.85 17.99 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 111.26 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.3 mt -76.71 112.9 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.149 -0.97 . . . . 0.0 109.818 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -81.46 -39.14 25.29 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.044 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.1 m-20 -153.6 146.06 24.05 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.598 -0.689 . . . . 0.0 110.853 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 52' ' ' ILE . 14.1 mt -126.05 144.26 50.79 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.761 -0.587 . . . . 0.0 110.871 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -148.37 159.01 44.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.66 -0.65 . . . . 0.0 110.141 172.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.598 HG12 HG12 ' A' ' 11' ' ' VAL . 80.4 mt -114.79 129.94 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.598 -0.689 . . . . 0.0 109.261 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt . . . . . 0 N--CA 1.5 2.04 0 O-C-N 121.576 -0.703 . . . . 0.0 110.185 -174.67 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.625 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 p -87.18 149.5 24.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.116 -1.226 . . . . 0.0 110.143 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -95.72 114.9 26.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.561 -0.712 . . . . 0.0 109.903 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 28.6 m -130.23 162.95 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.736 -0.602 . . . . 0.0 109.623 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 58' ' ' LEU . 47.1 tt0 -118.73 146.08 45.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.609 -0.682 . . . . 0.0 109.255 173.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.856 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.1 p -134.74 141.32 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.554 -0.716 . . . . 0.0 109.776 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -95.25 136.01 36.13 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.591 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 176.66 8.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.067 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.63 -22.07 43.34 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.686 -0.634 . . . . 0.0 111.535 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -98.77 24.45 7.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.107 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.73 25.95 12.46 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -96.25 133.0 41.13 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 170.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HG2' HD22 ' A' ' 14' ' ' LEU . 38.8 mttt -109.77 137.03 48.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.537 -0.727 . . . . 0.0 110.374 -170.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.45 36.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.833 -0.542 . . . . 0.0 109.997 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.549 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.7 ptt85 -138.58 150.97 46.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.626 -0.671 . . . . 0.0 110.636 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -172.82 45.13 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.15 136.07 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.635 -0.92 . . . . 0.0 109.618 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 91.3 mt -77.13 138.6 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.604 -0.685 . . . . 0.0 110.044 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.1 p -125.11 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.687 -0.633 . . . . 0.0 111.563 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -137.88 149.03 45.92 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.104 -0.997 . . . . 0.0 111.136 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -149.16 132.16 16.22 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.03 119.35 31.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.706 -0.621 . . . . 0.0 110.039 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -68.82 -26.44 65.17 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.75 -0.593 . . . . 0.0 110.756 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 t -61.23 -51.75 67.68 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.42 -0.8 . . . . 0.0 110.79 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -124.0 16.47 9.27 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.568 -0.708 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 p 46.93 67.0 0.86 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.639 -0.663 . . . . 0.0 111.547 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -113.94 132.06 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.476 -0.765 . . . . 0.0 109.684 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HG23 ' A' ' 25' ' ' ILE . 10.6 tp -122.76 125.3 45.22 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.215 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.93 129.12 45.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.741 -0.599 . . . . 0.0 109.792 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 25' ' ' ILE . 58.8 mt -110.94 120.01 40.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.781 -0.574 . . . . 0.0 109.941 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.699 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.0 ttt85 -96.4 124.06 40.26 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.753 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.7 tp -102.11 149.57 24.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.68 -0.638 . . . . 0.0 110.786 -173.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -9.57 14.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.95 -0.469 . . . . 0.0 111.871 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.79 30.94 0.62 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.072 -1.017 . . . . 0.0 110.985 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.01 29.37 17.61 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.042 -1.036 . . . . 0.0 110.413 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -121.32 141.46 50.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.458 -0.776 . . . . 0.0 110.106 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -127.85 144.41 51.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.712 -0.617 . . . . 0.0 110.207 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -143.96 142.05 30.52 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.639 -0.663 . . . . 0.0 110.572 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.5 p -106.83 121.07 43.67 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.802 -0.561 . . . . 0.0 109.955 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.12 130.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.635 -0.665 . . . . 0.0 109.428 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.022 HG22 HD12 ' A' ' 34' ' ' ILE . 34.9 t -72.72 136.63 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.26 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 69.5 p -64.57 -24.55 67.63 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.594 -0.691 . . . . 0.0 111.494 -172.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -57.75 -25.06 59.91 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.0 110.955 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.4 9.6 20.13 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.321 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.856 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.9 mt -77.13 112.91 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.14 -0.975 . . . . 0.0 109.839 174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -81.21 -40.29 24.08 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.087 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 64.7 m-20 -152.18 143.9 23.6 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.863 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 52' ' ' ILE . 14.2 mt -123.86 144.2 49.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.73 -0.606 . . . . 0.0 110.827 -177.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -147.82 158.99 44.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 110.082 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.483 HG12 HG12 ' A' ' 11' ' ' VAL . 78.8 mt -112.4 130.04 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.655 -0.653 . . . . 0.0 109.294 175.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 12' ' ' GLU . 43.6 mt . . . . . 0 N--CA 1.497 1.925 0 O-C-N 121.662 -0.649 . . . . 0.0 110.078 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.486 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 25' ' ' ILE . 86.4 p -87.3 141.34 28.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.187 -1.184 . . . . 0.0 110.298 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -87.01 114.91 24.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.6 -0.687 . . . . 0.0 109.774 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -130.36 162.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -118.6 143.44 46.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.8 p -131.5 142.4 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.566 -0.709 . . . . 0.0 110.011 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -97.52 136.08 38.44 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.566 169.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.53 177.0 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.044 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.9 -22.04 46.43 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.784 -0.572 . . . . 0.0 111.535 -176.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -100.75 26.48 6.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.762 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.93 25.9 14.29 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.303 -0.873 . . . . 0.0 110.946 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -100.31 137.63 38.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.708 ' HG2' HD22 ' A' ' 14' ' ' LEU . 41.5 mttt -109.63 142.75 40.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.511 -0.743 . . . . 0.0 110.417 -172.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.08 148.57 40.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.794 -0.567 . . . . 0.0 110.134 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -124.86 153.12 43.07 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.623 -0.673 . . . . 0.0 109.576 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.462 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.71 171.38 41.91 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.016 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.92 125.92 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.845 -0.797 . . . . 0.0 109.32 177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 11' ' ' VAL . 89.0 mt -65.78 137.34 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.744 -0.597 . . . . 0.0 110.278 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.68 HG21 ' CG ' ' A' ' 38' ' ' ARG . 41.3 p -125.11 -36.21 2.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.844 -0.535 . . . . 0.0 111.311 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -136.97 147.89 46.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.207 -0.933 . . . . 0.0 111.049 -173.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.818 -0.551 . . . . 0.0 109.621 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.03 122.73 39.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.652 -0.655 . . . . 0.0 110.065 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.79 -25.42 62.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.832 -0.543 . . . . 0.0 110.825 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -61.14 -48.52 81.23 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.43 -0.794 . . . . 0.0 110.802 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.1 9.36 8.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.648 -0.657 . . . . 0.0 111.27 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 50.76 66.96 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.203 -0.936 . . . . 0.0 111.028 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.4 mm -114.75 132.87 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.571 -0.706 . . . . 0.0 109.719 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 HG23 ' A' ' 25' ' ' ILE . 11.2 tp -123.1 125.08 44.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.651 -0.656 . . . . 0.0 110.314 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.37 127.52 46.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.82 -0.55 . . . . 0.0 109.917 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -110.8 120.01 41.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.526 . . . . 0.0 109.864 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.68 ' CG ' HG21 ' A' ' 26' ' ' THR . 32.8 mtp85 -99.83 120.86 40.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.661 -0.649 . . . . 0.0 109.819 176.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.462 HD13 ' HA2' ' A' ' 23' ' ' GLY . 57.5 tp -102.13 151.06 22.62 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.625 -0.672 . . . . 0.0 110.629 -172.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 -7.4 11.78 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.854 -0.529 . . . . 0.0 112.128 -170.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -86.76 30.94 0.7 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.086 -1.009 . . . . 0.0 110.846 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.08 29.09 17.29 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.075 -1.016 . . . . 0.0 110.339 177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 m -120.34 139.65 52.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.539 -0.726 . . . . 0.0 110.065 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -127.56 142.36 51.39 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.725 -0.61 . . . . 0.0 110.135 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' HD11 ' A' ' 47' ' ' ILE . 79.5 tttt -143.98 132.92 22.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 110.43 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -98.25 121.95 40.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 0.0 109.938 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.7 mt -129.08 131.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.701 -0.624 . . . . 0.0 109.49 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.56 135.79 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 p -62.42 -24.67 67.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.614 -0.679 . . . . 0.0 111.406 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -58.26 -26.12 62.55 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.956 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 9.52 19.57 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.33 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.861 HG23 ' CG2' ' A' ' 13' ' ' VAL . 85.5 mt -77.94 112.98 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.168 -0.958 . . . . 0.0 109.75 174.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -82.25 -39.49 22.94 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.051 171.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.9 m-20 -151.95 145.31 24.76 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.848 -173.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 52' ' ' ILE . 14.3 mt -127.2 144.2 51.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.795 -0.565 . . . . 0.0 110.68 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -146.94 158.34 43.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.652 -0.655 . . . . 0.0 109.86 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 11' ' ' VAL . 75.7 mt -114.77 130.1 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.631 -0.668 . . . . 0.0 109.324 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.497 1.903 0 O-C-N 121.595 -0.691 . . . . 0.0 110.025 -174.06 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.551 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.461 ' OG ' HD12 ' A' ' 25' ' ' ILE . 69.5 p -87.18 149.59 24.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.102 -1.234 . . . . 0.0 110.008 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.2 m120 -95.7 114.8 26.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.602 -0.686 . . . . 0.0 109.916 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 26.8 m -130.67 159.59 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.81 -0.556 . . . . 0.0 109.651 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -118.69 146.08 44.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.516 -0.74 . . . . 0.0 109.424 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.6 p -133.48 142.51 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.69 -0.631 . . . . 0.0 109.853 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.11 136.1 33.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.198 168.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.63 174.7 8.71 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.823 175.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.22 -20.76 29.12 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.716 -0.615 . . . . 0.0 111.589 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -94.57 23.28 5.43 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.393 -0.817 . . . . 0.0 110.984 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.31 26.16 13.64 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.341 -0.85 . . . . 0.0 110.739 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -100.66 144.05 30.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.495 -0.753 . . . . 0.0 109.179 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 14' ' ' LEU . 9.9 ptpp? -109.83 143.69 39.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.6 -0.688 . . . . 0.0 110.922 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.4 143.12 33.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.82 -0.55 . . . . 0.0 109.976 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.2 ptt85 -137.05 144.81 43.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.565 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -171.96 44.18 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.5 t -93.07 134.7 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 92.8 mt -75.07 139.54 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.611 -0.681 . . . . 0.0 110.031 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.711 HG21 ' HB2' ' A' ' 38' ' ' ARG . 33.8 p -125.16 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.616 -0.678 . . . . 0.0 111.522 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -137.45 147.63 45.49 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.206 -0.933 . . . . 0.0 111.073 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -149.1 129.84 14.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.862 -0.524 . . . . 0.0 109.608 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -122.05 122.3 38.96 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.632 -0.667 . . . . 0.0 109.998 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.78 -25.7 63.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.843 -0.536 . . . . 0.0 110.923 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -60.99 -49.42 77.5 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.762 . . . . 0.0 110.844 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.02 10.11 8.78 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.509 -0.744 . . . . 0.0 111.263 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m 51.15 67.02 1.01 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.239 -0.913 . . . . 0.0 110.989 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.065 HD12 HG22 ' A' ' 48' ' ' VAL . 44.5 mm -114.88 133.83 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.512 -0.743 . . . . 0.0 109.716 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -124.51 125.69 44.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.697 -0.627 . . . . 0.0 110.324 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -101.68 129.75 47.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.813 -0.554 . . . . 0.0 109.83 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.87 119.96 40.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.868 -0.52 . . . . 0.0 110.002 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HB2' HG21 ' A' ' 26' ' ' THR . 59.8 ttp180 -97.04 124.2 40.97 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.719 -0.613 . . . . 0.0 109.768 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.5 tp -102.03 145.74 28.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.733 -0.604 . . . . 0.0 110.841 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -10.31 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.92 -0.487 . . . . 0.0 111.78 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -86.26 30.89 0.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.143 -0.973 . . . . 0.0 111.044 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t70 61.09 27.56 17.37 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.0 m -119.7 140.09 51.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.398 -0.813 . . . . 0.0 110.036 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.24 144.05 51.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.632 -0.668 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -143.98 142.09 30.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.671 -0.643 . . . . 0.0 110.557 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -110.31 119.37 39.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.821 -0.549 . . . . 0.0 109.801 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.53 132.07 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.624 -0.672 . . . . 0.0 109.534 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.065 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.43 137.26 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.632 -0.668 . . . . 0.0 109.276 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.7 p -63.09 -24.64 68.0 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.576 -0.703 . . . . 0.0 111.376 -172.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -58.48 -25.11 61.95 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.324 -0.86 . . . . 0.0 110.866 -175.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.73 11.9 16.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.447 -0.783 . . . . 0.0 111.282 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 95.0 mt -77.73 112.91 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.23 -0.919 . . . . 0.0 109.705 172.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -80.6 -39.0 28.3 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.085 171.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.5 m-20 -153.65 150.92 29.1 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.787 -175.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -130.05 144.26 51.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.629 -0.669 . . . . 0.0 110.868 -176.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -148.21 159.05 44.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.689 -0.632 . . . . 0.0 109.968 172.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.584 HG12 HG12 ' A' ' 11' ' ' VAL . 81.1 mt -113.08 130.03 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.637 -0.664 . . . . 0.0 109.31 175.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.499 1.997 0 O-C-N 121.598 -0.689 . . . . 0.0 110.2 -175.275 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.553 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -87.15 143.22 27.4 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.148 -1.207 . . . . 0.0 110.182 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.75 114.9 27.56 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.625 -0.672 . . . . 0.0 109.888 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 25' ' ' ILE . 27.2 m -130.93 162.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.735 -0.603 . . . . 0.0 109.693 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 58' ' ' LEU . 37.1 tt0 -118.65 146.07 44.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 0.0 109.439 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.0 p -133.74 143.39 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.612 -0.68 . . . . 0.0 109.702 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.749 HD22 ' CG ' ' A' ' 20' ' ' LYS . 2.5 mt -96.9 136.09 37.96 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.325 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.52 177.5 8.69 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.928 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -58.29 -21.47 49.08 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.72 -0.613 . . . . 0.0 111.53 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -103.08 27.47 7.12 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.444 -0.785 . . . . 0.0 111.11 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.66 26.01 14.02 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.29 -0.882 . . . . 0.0 110.87 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.43 133.06 42.52 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 169.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.749 ' CG ' HD22 ' A' ' 14' ' ' LEU . 1.9 mptt -109.79 137.25 47.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 0.0 110.642 -170.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.09 150.13 40.79 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 109.946 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' HD13 ' A' ' 39' ' ' LEU . 30.9 ptt180 -141.41 149.9 41.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.6 -0.687 . . . . 0.0 110.588 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -173.33 45.61 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -91.31 138.54 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.549 -0.971 . . . . 0.0 109.759 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 11' ' ' VAL . 83.8 mt -79.1 139.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.653 -0.654 . . . . 0.0 109.925 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.6 p -125.11 -36.04 2.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.706 -0.621 . . . . 0.0 111.484 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -138.16 148.77 45.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.129 -0.982 . . . . 0.0 111.121 -173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -149.11 130.71 14.92 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -122.08 123.66 42.11 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.724 -0.61 . . . . 0.0 109.922 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -74.24 -29.17 61.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.826 -0.546 . . . . 0.0 110.789 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -63.82 -42.67 97.6 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.576 -0.702 . . . . 0.0 110.716 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -123.97 4.87 8.67 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.656 -0.652 . . . . 0.0 111.441 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 m 51.48 67.06 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.323 -0.861 . . . . 0.0 110.937 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.054 HD12 HG22 ' A' ' 48' ' ' VAL . 46.6 mm -117.68 134.76 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.578 -0.701 . . . . 0.0 109.626 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.39 122.78 37.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.811 -0.556 . . . . 0.0 110.211 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -96.99 128.67 44.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.765 -0.584 . . . . 0.0 109.824 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' ILE . 94.8 mt -110.85 119.98 40.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.877 -0.515 . . . . 0.0 109.855 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.4 ttt180 -98.7 124.67 43.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.768 -0.583 . . . . 0.0 109.782 177.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 22' ' ' ARG . 26.4 tp -102.04 148.91 24.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.655 . . . . 0.0 110.87 -174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.42 -8.7 14.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.94 -0.475 . . . . 0.0 111.838 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -86.1 30.58 0.67 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.15 -0.969 . . . . 0.0 111.0 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 60.84 27.54 17.34 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.985 -1.072 . . . . 0.0 110.618 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -121.41 139.05 53.95 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.098 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -132.02 140.07 48.8 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 47' ' ' ILE . 38.4 ttpt -144.08 142.03 30.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.73 -0.606 . . . . 0.0 110.354 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -98.3 125.77 43.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.738 -0.601 . . . . 0.0 110.049 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.576 HD11 ' HE3' ' A' ' 45' ' ' LYS . 80.1 mt -129.15 133.45 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.64 -0.662 . . . . 0.0 109.494 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.054 HG22 HD12 ' A' ' 34' ' ' ILE . 40.6 t -77.93 137.0 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.629 -0.669 . . . . 0.0 109.276 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -64.21 -24.62 67.74 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.643 -0.66 . . . . 0.0 111.375 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -57.7 -25.23 60.01 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.211 -0.931 . . . . 0.0 111.062 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.98 9.17 20.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 111.328 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.9 112.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.161 -0.962 . . . . 0.0 109.843 174.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -85.03 -37.77 19.98 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.304 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-20 -150.13 145.75 26.5 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.926 -175.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -128.02 144.19 51.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.745 -0.597 . . . . 0.0 110.96 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -147.56 159.01 44.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.746 -0.596 . . . . 0.0 109.884 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG12 HG12 ' A' ' 11' ' ' VAL . 81.4 mt -113.48 130.06 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 109.427 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.9 mt . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.635 -0.666 . . . . 0.0 110.163 -173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.688 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -87.15 148.75 25.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -1.199 . . . . 0.0 110.021 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -93.29 114.89 27.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.549 -0.719 . . . . 0.0 109.99 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 57' ' ' ILE . 27.1 m -132.16 163.69 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -118.67 146.08 44.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.529 -0.732 . . . . 0.0 109.652 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.798 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.07 142.78 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.655 -0.653 . . . . 0.0 109.809 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.68 135.99 34.41 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.346 166.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.88 174.07 9.54 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.888 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -58.01 -21.05 43.15 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.695 -0.628 . . . . 0.0 111.545 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -96.88 25.34 5.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.493 -0.754 . . . . 0.0 111.031 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.72 26.66 15.8 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.269 -0.894 . . . . 0.0 110.979 171.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -102.11 141.59 34.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.41 -0.807 . . . . 0.0 109.299 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' HD22 ' A' ' 14' ' ' LEU . 19.5 pttp -109.93 139.07 45.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.53 -0.731 . . . . 0.0 110.863 -175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 150.91 41.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.808 -0.557 . . . . 0.0 109.978 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 58' ' ' LEU . 33.6 ptt180 -137.75 155.93 48.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.517 -0.739 . . . . 0.0 110.49 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.67 179.56 48.51 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 176.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.97 132.08 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.74 -0.859 . . . . 0.0 109.283 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 60.4 mt -65.45 135.32 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.631 -0.668 . . . . 0.0 110.27 -176.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.733 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.17 -14.69 6.48 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.907 -0.496 . . . . 0.0 111.677 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -158.04 151.54 23.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.938 -1.101 . . . . 0.0 111.081 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -149.09 133.66 17.69 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -122.01 119.31 31.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.755 -0.591 . . . . 0.0 109.978 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -68.37 -31.16 70.34 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.874 -0.516 . . . . 0.0 110.71 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -61.14 -48.92 79.39 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.502 -0.749 . . . . 0.0 110.875 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -123.95 14.98 9.26 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.745 . . . . 0.0 111.264 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 p 46.95 67.16 0.83 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.571 -0.706 . . . . 0.0 111.643 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.033 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -114.14 130.99 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.482 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 37' ' ' LEU . 11.2 tp -123.7 124.29 42.41 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.686 . . . . 0.0 110.399 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.91 126.91 42.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.791 -0.568 . . . . 0.0 109.55 172.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 35' ' ' LEU . 57.8 mt -111.07 126.4 54.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.748 -0.595 . . . . 0.0 110.083 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.733 ' HB2' HG21 ' A' ' 26' ' ' THR . 56.9 ttt85 -111.85 119.59 39.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.735 -0.603 . . . . 0.0 110.048 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.43 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.4 tp -101.99 158.15 16.36 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.82 -4.27 8.8 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.984 -0.447 . . . . 0.0 112.034 -171.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.63 29.79 0.77 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.094 -1.004 . . . . 0.0 110.806 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.45 17.5 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.151 -0.968 . . . . 0.0 110.294 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -123.95 137.83 54.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.528 -0.733 . . . . 0.0 110.134 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -130.59 148.63 52.41 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.708 -0.62 . . . . 0.0 110.201 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -143.49 142.01 30.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.681 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.8 p -103.31 114.29 28.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.858 -0.526 . . . . 0.0 109.877 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.13 132.19 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.669 -0.644 . . . . 0.0 109.529 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.033 HG22 HD12 ' A' ' 34' ' ' ILE . 38.1 t -71.63 136.94 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.331 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.422 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.1 p -63.26 -24.53 67.91 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.552 -0.718 . . . . 0.0 111.355 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.64 -25.3 62.6 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.229 -0.92 . . . . 0.0 110.968 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.22 11.04 17.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.798 HG23 ' CG2' ' A' ' 13' ' ' VAL . 97.2 mt -75.16 112.99 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.205 -0.935 . . . . 0.0 109.747 173.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.05 -39.17 30.33 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.947 171.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.0 m-20 -153.2 155.95 37.62 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.645 -0.659 . . . . 0.0 110.78 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 52' ' ' ILE . 14.6 mt -135.99 144.2 45.22 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.658 -0.651 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -148.81 159.21 44.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.74 -0.6 . . . . 0.0 109.629 172.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.571 HG12 HG12 ' A' ' 11' ' ' VAL . 79.6 mt -108.42 130.02 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.517 -0.74 . . . . 0.0 109.45 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 22' ' ' ARG . 41.9 mt . . . . . 0 N--CA 1.497 1.902 0 O-C-N 121.596 -0.69 . . . . 0.0 110.159 -175.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.568 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -87.31 144.75 26.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -1.169 . . . . 0.0 110.127 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.64 114.9 27.33 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.644 -0.66 . . . . 0.0 109.947 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 25' ' ' ILE . 26.9 m -129.81 162.36 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -118.63 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.517 -0.739 . . . . 0.0 109.491 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.864 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.5 p -133.87 143.13 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.486 -0.759 . . . . 0.0 109.757 177.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -96.3 136.09 37.25 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.416 168.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.74 176.69 8.78 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.93 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.43 -21.89 39.74 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.725 -0.61 . . . . 0.0 111.592 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -99.03 24.72 7.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.124 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.66 25.91 12.3 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.205 -0.934 . . . . 0.0 110.677 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -96.71 132.99 41.82 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 170.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.719 ' HG2' HD22 ' A' ' 14' ' ' LEU . 58.5 mttt -109.69 137.03 48.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.391 -170.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.0 148.2 38.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.771 -0.58 . . . . 0.0 110.04 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.553 ' O ' HD13 ' A' ' 39' ' ' LEU . 34.4 ptt-85 -139.64 150.37 44.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.576 -0.702 . . . . 0.0 110.665 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.83 -173.52 45.78 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.1 t -90.75 140.08 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.595 -0.944 . . . . 0.0 109.698 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 HG21 ' A' ' 11' ' ' VAL . 84.1 mt -80.45 139.48 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.653 -0.654 . . . . 0.0 109.964 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.671 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.5 p -125.1 -36.07 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.669 -0.645 . . . . 0.0 111.509 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -138.57 148.74 44.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.091 -1.006 . . . . 0.0 111.107 -173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -149.13 130.77 14.95 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -122.03 122.11 38.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.663 -0.648 . . . . 0.0 110.025 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -71.14 -26.17 62.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.784 -0.572 . . . . 0.0 110.878 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -61.68 -48.5 80.5 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.438 -0.789 . . . . 0.0 110.76 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -124.1 9.66 8.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.525 -0.734 . . . . 0.0 111.251 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m 51.15 67.07 1.0 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.193 -0.942 . . . . 0.0 111.001 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.056 HD12 HG22 ' A' ' 48' ' ' VAL . 45.8 mm -115.16 132.9 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.488 -0.757 . . . . 0.0 109.638 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -124.29 122.91 39.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -174.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -97.88 129.03 44.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 120.344 -0.543 . . . . 0.0 109.761 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.9 mt -110.96 120.01 40.98 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.856 177.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HG21 ' A' ' 26' ' ' THR . 70.8 ttt180 -96.81 125.28 41.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.81 -0.556 . . . . 0.0 109.715 176.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.5 tp -102.01 152.17 21.28 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.852 -174.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -9.41 12.54 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.998 -0.439 . . . . 0.0 111.871 -173.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -85.08 30.99 0.56 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.096 -1.002 . . . . 0.0 111.081 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.12 16.98 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.028 -1.045 . . . . 0.0 110.45 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -122.98 139.25 54.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.076 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -130.28 141.36 50.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.656 -0.652 . . . . 0.0 110.179 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -144.04 142.06 30.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.673 -0.642 . . . . 0.0 110.334 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -97.59 126.47 42.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.69 -0.631 . . . . 0.0 110.237 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.0 mt -128.93 133.01 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.659 -0.651 . . . . 0.0 109.395 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.056 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -77.06 136.99 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.647 -0.658 . . . . 0.0 109.264 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -64.41 -24.56 67.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.615 -0.678 . . . . 0.0 111.363 -172.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -58.4 -25.05 61.67 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.262 -0.899 . . . . 0.0 110.891 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.36 9.2 21.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.477 -0.764 . . . . 0.0 111.303 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.864 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.3 mt -77.35 112.97 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.221 -0.924 . . . . 0.0 109.807 174.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -81.75 -39.63 23.88 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.109 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.9 m-20 -152.52 145.87 24.79 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.84 -173.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD11 HG21 ' A' ' 52' ' ' ILE . 16.6 mt -126.83 144.2 51.04 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.785 -0.572 . . . . 0.0 110.913 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -148.0 159.06 44.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.746 -0.596 . . . . 0.0 109.82 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 HG12 ' A' ' 11' ' ' VAL . 76.9 mt -113.35 130.02 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.581 -0.699 . . . . 0.0 109.498 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.498 1.928 0 O-C-N 121.631 -0.668 . . . . 0.0 110.005 -176.116 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.618 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' ' 25' ' ' ILE . 74.7 p -87.16 151.96 22.74 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.206 -1.173 . . . . 0.0 110.046 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.0 m120 -96.21 114.92 26.65 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.643 -0.661 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 27.3 m -129.56 159.46 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.8 -0.562 . . . . 0.0 109.748 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -118.69 146.01 45.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.607 -0.683 . . . . 0.0 109.649 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.702 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -132.93 142.93 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.869 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.67 136.07 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.276 166.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.19 174.54 8.55 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.914 175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.87 -20.73 24.59 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 121.626 -0.671 . . . . 0.0 111.594 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -93.94 22.92 5.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.375 -0.828 . . . . 0.0 111.062 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.27 25.9 13.25 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.301 -0.874 . . . . 0.0 110.787 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -101.43 145.11 29.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.583 -0.698 . . . . 0.0 109.184 170.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.4 ptpt -109.88 144.15 38.77 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.615 -0.678 . . . . 0.0 110.906 -173.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.91 142.71 34.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.775 -0.578 . . . . 0.0 109.967 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.3 ptt85 -137.15 144.35 42.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.552 -0.718 . . . . 0.0 110.556 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.8 -172.02 44.24 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.3 t -92.26 138.21 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.528 -0.983 . . . . 0.0 109.574 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 91.0 mt -78.35 139.07 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.538 -0.726 . . . . 0.0 109.967 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 38' ' ' ARG . 34.3 p -125.13 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.667 -0.646 . . . . 0.0 111.575 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -136.97 148.05 46.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.092 -1.005 . . . . 0.0 111.099 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -149.16 130.51 14.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -122.08 122.0 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 110.104 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.79 -25.95 63.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.815 -0.553 . . . . 0.0 110.872 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.52 -49.31 77.23 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.423 -0.798 . . . . 0.0 110.848 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -123.99 10.37 8.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.564 -0.71 . . . . 0.0 111.342 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 51.25 67.01 1.01 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.083 -1.011 . . . . 0.0 110.955 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.081 HD12 HG22 ' A' ' 48' ' ' VAL . 44.6 mm -114.32 133.47 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.582 -0.699 . . . . 0.0 109.671 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.56 125.49 44.27 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.646 -0.659 . . . . 0.0 110.227 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.71 129.86 47.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.796 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.9 120.02 41.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.884 -0.51 . . . . 0.0 110.004 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.701 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.5 ttt180 -95.88 124.08 39.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.9 tp -102.19 148.1 25.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 0.0 110.784 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -7.56 15.03 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.905 -0.497 . . . . 0.0 111.953 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.85 29.35 0.81 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.037 -1.039 . . . . 0.0 110.982 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.41 27.78 17.31 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.05 -1.031 . . . . 0.0 110.516 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -120.45 141.86 49.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.466 -0.771 . . . . 0.0 110.112 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -128.91 145.49 51.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.681 -0.637 . . . . 0.0 110.241 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -143.99 142.07 30.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.68 -0.638 . . . . 0.0 110.577 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.4 p -110.02 118.8 37.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.787 -0.571 . . . . 0.0 109.855 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -129.02 130.96 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.586 -0.696 . . . . 0.0 109.493 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.35 136.35 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.458 ' HB ' HD12 ' A' ' 52' ' ' ILE . 64.8 p -62.57 -24.68 67.67 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.604 -0.685 . . . . 0.0 111.331 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -57.59 -25.02 59.42 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 110.934 -175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -86.99 8.42 23.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.413 -0.805 . . . . 0.0 111.31 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.702 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.9 113.01 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.137 -0.977 . . . . 0.0 109.783 175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -80.22 -39.67 28.64 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.843 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.4 155.92 37.28 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.666 -176.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 52' ' ' ILE . 14.9 mt -134.58 144.12 47.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.607 -0.683 . . . . 0.0 110.936 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -147.1 158.16 43.85 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.755 -0.59 . . . . 0.0 109.749 171.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.523 HG12 HG12 ' A' ' 11' ' ' VAL . 78.9 mt -114.99 129.97 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.636 -0.665 . . . . 0.0 109.433 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt . . . . . 0 N--CA 1.499 2.02 0 O-C-N 121.673 -0.642 . . . . 0.0 110.022 -175.678 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.647 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -87.18 151.39 23.22 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.076 -1.249 . . . . 0.0 110.095 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -95.56 114.82 26.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.588 -0.695 . . . . 0.0 110.014 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 57' ' ' ILE . 27.0 m -132.68 164.37 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.865 -0.522 . . . . 0.0 109.654 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.9 tt0 -118.64 146.07 44.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.543 -0.723 . . . . 0.0 109.669 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.704 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.32 141.82 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.66 136.08 33.53 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.312 166.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.45 173.18 9.81 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.809 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.76 -21.69 30.21 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.644 -0.66 . . . . 0.0 111.448 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.71 24.84 5.0 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.506 -0.746 . . . . 0.0 111.026 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 59.11 26.61 15.35 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.257 -0.902 . . . . 0.0 110.91 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -101.73 142.62 32.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.468 -0.77 . . . . 0.0 109.28 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HB3' HD22 ' A' ' 14' ' ' LEU . 21.0 pttm -109.88 138.82 45.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.541 -0.725 . . . . 0.0 110.97 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.03 149.03 39.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.781 -0.575 . . . . 0.0 109.934 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -137.03 155.17 50.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.448 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.69 -179.8 48.67 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 176.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.61 132.65 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.615 -0.933 . . . . 0.0 109.358 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.09 135.95 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.0 p -125.09 -15.46 6.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.965 -0.459 . . . . 0.0 111.602 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -157.51 152.25 25.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.957 -1.09 . . . . 0.0 110.983 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -149.16 134.92 18.78 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.081 0.467 . . . . 0.0 109.765 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.06 125.22 45.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.725 -0.61 . . . . 0.0 109.605 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.3 p -78.86 -32.87 46.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.75 -0.593 . . . . 0.0 110.781 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.3 p -68.61 -34.58 76.01 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.683 -0.636 . . . . 0.0 110.606 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -124.02 -0.86 8.35 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.644 -0.66 . . . . 0.0 111.47 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m 53.08 67.04 1.06 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.033 -1.042 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.044 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.78 134.32 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.586 -0.696 . . . . 0.0 109.545 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 37' ' ' LEU . 10.4 tp -126.6 124.76 40.66 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.511 -0.743 . . . . 0.0 110.369 -173.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -97.07 127.07 42.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.835 -0.541 . . . . 0.0 109.573 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 35' ' ' LEU . 55.1 mt -110.93 125.55 53.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.698 -0.626 . . . . 0.0 110.218 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.3 ttt180 -111.49 119.9 40.32 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.759 -0.588 . . . . 0.0 109.996 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA2' ' A' ' 23' ' ' GLY . 67.1 tp -101.85 157.71 16.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.657 -0.652 . . . . 0.0 110.507 -174.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.47 -2.18 8.15 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.923 -0.486 . . . . 0.0 112.145 -171.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -86.9 26.84 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.991 -1.068 . . . . 0.0 111.014 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.14 -0.975 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -123.39 138.19 54.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.379 -0.826 . . . . 0.0 110.241 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -132.26 147.17 52.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.721 -0.612 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -144.02 142.01 30.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.627 -0.671 . . . . 0.0 110.778 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.2 p -100.52 116.33 32.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.795 -0.566 . . . . 0.0 109.963 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.59 132.64 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.662 -0.649 . . . . 0.0 109.525 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.044 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -72.6 137.34 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.638 -0.664 . . . . 0.0 109.27 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.7 p -64.0 -24.67 67.81 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.558 -0.714 . . . . 0.0 111.25 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -59.11 -25.34 63.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.23 -0.919 . . . . 0.0 110.786 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.11 12.3 16.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.478 -0.764 . . . . 0.0 111.264 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.704 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.24 112.96 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.186 -0.946 . . . . 0.0 109.664 172.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -79.37 -40.35 30.37 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.889 170.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.64 155.95 37.0 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.77 -175.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 52' ' ' ILE . 16.4 mt -134.95 144.27 47.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 110.946 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -148.51 159.05 44.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.801 -0.562 . . . . 0.0 109.646 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG12 HG12 ' A' ' 11' ' ' VAL . 71.5 mt -109.29 130.08 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 12' ' ' GLU . 41.6 mt . . . . . 0 N--CA 1.498 1.974 0 O-C-N 121.719 -0.613 . . . . 0.0 110.196 -175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.563 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.18 146.95 25.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.179 -1.189 . . . . 0.0 110.061 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.467 ' OD1' HG22 ' A' ' 24' ' ' VAL . 12.4 m-80 -91.67 114.87 27.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.676 -0.64 . . . . 0.0 110.103 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.62 157.93 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.744 -0.597 . . . . 0.0 109.751 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -118.63 145.97 45.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.478 -0.764 . . . . 0.0 109.502 173.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.862 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -136.55 142.9 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.614 -0.678 . . . . 0.0 109.749 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.31 136.13 36.05 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.427 169.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.73 177.36 8.4 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.954 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.98 -21.85 46.55 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.805 -0.559 . . . . 0.0 111.523 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -98.72 24.33 7.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.52 -0.737 . . . . 0.0 111.156 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.81 25.66 12.23 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.325 -0.859 . . . . 0.0 110.74 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.61 133.42 42.18 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HG2' HD22 ' A' ' 14' ' ' LEU . 36.8 mttt -109.68 139.12 45.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.5 -0.75 . . . . 0.0 110.422 -170.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.08 146.15 35.11 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.81 -0.556 . . . . 0.0 110.02 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.0 ptt180 -138.64 147.45 42.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.555 -0.716 . . . . 0.0 110.441 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -172.54 44.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.467 HG22 ' OD1' ' A' ' 10' ' ' ASN . 61.0 t -87.71 143.26 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.615 -0.932 . . . . 0.0 109.71 -177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -80.9 139.88 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.597 -0.689 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.683 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.5 p -125.16 -36.22 2.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.596 -0.69 . . . . 0.0 111.545 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -138.58 145.79 41.02 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.031 -1.043 . . . . 0.0 111.068 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -149.07 127.48 12.25 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.872 -0.518 . . . . 0.0 109.603 172.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -122.06 122.09 38.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.639 -0.663 . . . . 0.0 110.116 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -68.78 -29.76 68.2 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.792 -0.568 . . . . 0.0 110.768 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -60.33 -47.54 85.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.545 -0.722 . . . . 0.0 110.94 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.99 9.07 8.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.569 -0.707 . . . . 0.0 111.252 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m 50.76 66.98 1.01 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.274 -0.891 . . . . 0.0 110.911 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.037 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -113.5 133.75 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -125.4 123.83 40.15 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.645 . . . . 0.0 110.353 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -101.25 128.38 47.41 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.774 173.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -110.94 120.01 40.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.827 -0.546 . . . . 0.0 109.935 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.6 ttt180 -98.06 126.26 43.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 109.857 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.18 147.65 26.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.601 -0.687 . . . . 0.0 110.84 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.39 -8.94 15.06 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.932 -0.48 . . . . 0.0 111.859 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.28 30.15 0.71 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.079 -1.013 . . . . 0.0 111.013 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 61.65 27.81 17.13 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.97 -1.081 . . . . 0.0 110.568 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 m -121.53 139.1 53.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.0 110.014 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -132.36 143.87 50.14 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.684 -0.635 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -144.09 141.99 30.36 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.803 -0.56 . . . . 0.0 110.509 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.2 p -106.32 121.06 43.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.75 -0.594 . . . . 0.0 109.92 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -129.56 131.5 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.643 -0.661 . . . . 0.0 109.503 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HD12 ' A' ' 34' ' ' ILE . 39.3 t -72.22 137.55 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 109.268 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.405 ' HB ' HD12 ' A' ' 52' ' ' ILE . 74.1 p -61.47 -24.5 66.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.545 -0.722 . . . . 0.0 111.408 -172.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -57.53 -24.83 58.24 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.366 -0.834 . . . . 0.0 110.982 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.27 8.98 21.8 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.483 -0.761 . . . . 0.0 111.317 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.862 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.6 mt -78.03 113.0 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.148 -0.97 . . . . 0.0 109.789 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -81.75 -39.55 23.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.064 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.8 m-20 -152.66 144.65 23.73 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.621 -0.674 . . . . 0.0 110.88 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -124.69 144.21 50.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.744 -0.597 . . . . 0.0 110.87 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.93 156.79 44.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.722 -0.611 . . . . 0.0 109.762 170.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -114.98 129.96 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.609 -0.682 . . . . 0.0 109.456 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 N--CA 1.498 1.944 0 O-C-N 121.639 -0.663 . . . . 0.0 109.817 -175.834 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.552 -1.419 . . . . 9.6899999999999995 109.552 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -101.88 138.77 38.4 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.767 -0.843 . . . . 7.5499999999999998 110.264 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.5 ttt -133.87 151.32 51.49 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.714 -0.616 . . . . 8.1300000000000008 110.193 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -69.94 137.01 27.8 Favored Glycine 0 N--CA 1.496 2.634 0 N-CA-C 109.517 -1.433 . . . . 3.2799999999999998 109.517 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt -127.11 158.98 35.58 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.66 -0.906 . . . . 3.2200000000000002 110.295 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -121.26 158.28 28.46 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.733 -0.604 . . . . 1.3 110.159 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -63.58 -32.43 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.246 0 O-C-N 121.655 -0.653 . . . . 1.28 110.043 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.97 -30.0 70.63 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.632 -0.667 . . . . 0.77000000000000002 110.509 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -64.12 -39.27 93.67 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.57 -0.706 . . . . 1.52 110.318 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -69.03 -36.94 78.29 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.635 -0.666 . . . . 0.96999999999999997 110.066 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.88 126.04 28.19 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.765 -0.585 . . . . 1.55 109.959 177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.74 2.93 89.74 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 110.968 -0.853 . . . . 0.34000000000000002 110.968 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.1 p -87.2 155.43 20.1 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.117 -1.225 . . . . 1.1499999999999999 109.97 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -96.49 114.8 26.5 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.614 -0.679 . . . . 1.99 110.119 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.506 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -131.25 162.41 39.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 121.842 -0.536 . . . . 0.14999999999999999 109.591 178.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -118.77 146.04 45.11 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.565 -0.709 . . . . 0.93999999999999995 109.428 173.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.867 ' CG2' HG23 ' A' ' 52' ' ' ILE . 13.1 p -134.13 142.87 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.581 -0.7 . . . . 0.16 109.902 -179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.1 136.1 33.67 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.173 -1.011 . . . . 0.20999999999999999 109.419 168.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.9 mt -86.15 174.24 9.28 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.7 -0.8 . . . . 0.17000000000000001 110.09 175.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -56.48 -22.01 29.61 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 121.688 -0.632 . . . . 0.66000000000000003 111.611 -175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -95.5 24.31 5.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.509 -0.744 . . . . 0.94999999999999996 110.971 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.19 26.2 13.5 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.346 -0.846 . . . . 1.0700000000000001 110.762 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.8 p -96.98 142.01 29.46 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.27000000000000002 109.103 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB3' HD22 ' A' ' 14' ' ' LEU . 16.3 ptmt -109.9 139.27 45.18 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 2.2599999999999998 110.76 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.99 148.14 38.08 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.763 -0.585 . . . . 0.23999999999999999 110.018 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ptt-85 -135.59 153.35 51.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.513 -0.742 . . . . 2.1099999999999999 110.417 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.405 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.66 -179.36 48.76 Favored Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.491 -1.444 . . . . 0.23999999999999999 109.491 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.18 133.28 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.681 -0.893 . . . . 0.28000000000000003 109.382 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 51.6 mt -65.71 136.9 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.977 0 O-C-N 121.598 -0.688 . . . . 0.33000000000000002 110.261 -177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.4 p -125.11 -16.53 6.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.965 -0.459 . . . . 0.56000000000000005 111.551 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -158.31 152.11 23.67 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.007 -1.058 . . . . 1.1299999999999999 111.134 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -149.03 133.26 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.561 -0.533 . . . . 0.46000000000000002 109.561 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -122.08 122.75 39.99 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.656 -0.652 . . . . 1.04 109.881 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 88.1 p -73.61 -29.55 62.44 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.755 -0.59 . . . . 1.3100000000000001 110.778 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -63.73 -44.19 94.29 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.525 -0.735 . . . . 1.1299999999999999 110.788 -176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.03 6.92 8.59 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.526 -0.734 . . . . 1.6799999999999999 111.377 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m 51.88 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.284 -0.885 . . . . 0.97999999999999998 111.047 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 45.7 mm -116.65 132.2 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 121.547 -0.721 . . . . 0.23000000000000001 109.5 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 37' ' ' LEU . 11.0 tp -124.72 124.24 41.73 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.71 -0.619 . . . . 0.20999999999999999 110.307 -173.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -96.98 127.47 42.98 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 109.515 -0.55 . . . . 0.93000000000000005 109.515 172.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.519 HD21 HD21 ' A' ' 35' ' ' LEU . 89.8 mt -110.96 125.23 53.48 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.789 -0.57 . . . . 0.35999999999999999 110.098 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 65.3 ttt180 -111.95 120.27 41.35 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.766 -0.584 . . . . 2.9199999999999999 109.965 176.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.1 tp -102.01 158.69 15.97 Favored 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.361 0.6 . . . . 0.47999999999999998 110.528 -173.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.04 -1.2 6.98 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.872 -0.518 . . . . 0.27000000000000002 112.142 -170.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -87.53 26.45 1.26 Allowed 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.102 -0.999 . . . . 1.8899999999999999 110.822 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.1 27.82 17.59 Favored 'General case' 0 N--CA 1.504 2.248 0 O-C-N 121.109 -0.994 . . . . 1.95 110.465 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.1 m -122.49 137.45 54.87 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.462 -0.774 . . . . 0.35999999999999999 110.189 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -131.82 146.48 52.16 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.757 -0.59 . . . . 0.35999999999999999 110.212 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 47' ' ' ILE . 70.0 tttt -143.93 138.98 28.88 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.692 -0.63 . . . . 2.29 110.493 -178.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.0 p -96.54 119.73 35.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.711 -0.618 . . . . 0.17000000000000001 109.988 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.9 mt -129.9 130.45 66.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.602 -0.686 . . . . 0.25 109.5 -178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 41.6 t -72.7 136.27 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.58 -0.7 . . . . 0.23000000000000001 109.116 176.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 65.8 p -63.29 -24.59 67.93 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.613 -0.679 . . . . 0.17999999999999999 111.401 -173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -58.69 -25.21 62.62 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.363 -0.836 . . . . 2.9300000000000002 110.741 -175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -89.46 13.06 14.68 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.461 -0.774 . . . . 0.23000000000000001 111.274 175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.867 HG23 ' CG2' ' A' ' 13' ' ' VAL . 94.8 mt -77.03 112.97 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 121.175 -0.953 . . . . 0.16 109.677 172.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -40.0 29.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 120.103 -0.639 . . . . 1.9199999999999999 110.023 172.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.88 149.65 27.55 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 119.977 -0.689 . . . . 0.66000000000000003 110.864 -175.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD11 HG21 ' A' ' 52' ' ' ILE . 15.7 mt -128.34 144.2 51.1 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.771 -0.581 . . . . 0.20999999999999999 110.99 -176.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -146.96 159.06 44.01 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.731 -0.605 . . . . 1.47 109.819 171.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.506 HG12 HG12 ' A' ' 11' ' ' VAL . 65.3 mt -113.45 130.12 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.653 -0.654 . . . . 0.34000000000000002 109.331 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 70.1 mt -87.12 147.28 42.25 Favored Pre-proline 0 N--CA 1.497 1.918 0 O-C-N 121.565 -0.71 . . . . 0.52000000000000002 109.965 -176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -69.68 117.16 4.91 Favored 'Trans proline' 0 N--CA 1.487 1.104 0 O-C-N 123.496 1.261 . . . . 1.2 110.38 -178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -67.68 -39.53 84.46 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.641 -0.662 . . . . 4.8399999999999999 110.171 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -157.34 164.64 37.38 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.825 -0.547 . . . . 5.71 110.029 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -101.14 125.12 47.73 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.713 -0.617 . . . . 6.4800000000000004 110.218 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.6 mt -74.54 -34.61 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.025 0 O-C-N 121.714 -0.616 . . . . 8.3900000000000006 109.825 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.9 mtt -104.11 161.75 21.99 Favored Pre-proline 0 N--CA 1.495 1.786 0 O-C-N 121.693 -0.63 . . . . 11.19 110.357 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.52 152.68 80.29 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 O-C-N 123.738 1.388 . . . . 13.039999999999999 110.376 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -89.59 121.65 31.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.653 -0.655 . . . . 16.32 110.238 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -82.83 -33.04 27.24 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.687 -0.633 . . . . 16.5 110.301 178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.01 -34.47 3.4 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.663 -1.375 . . . . 18.609999999999999 109.663 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.2 m -65.28 -33.12 75.22 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.634 -0.921 . . . . 19.460000000000001 110.446 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -77.78 152.74 33.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.644 -0.66 . . . . 20.899999999999999 110.196 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.4 m -74.95 163.28 69.24 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.768 -0.582 . . . . 21.18 110.232 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -66.34 143.58 70.78 Favored 'Trans proline' 0 N--CA 1.488 1.162 0 O-C-N 123.628 1.331 . . . . 22.239999999999998 110.446 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.6 t -65.5 -33.22 75.42 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.693 -0.629 . . . . 22.489999999999998 110.297 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t -133.03 167.87 19.51 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.717 -0.614 . . . . 23.030000000000001 110.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -92.81 124.02 36.5 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.691 -0.631 . . . . 24.239999999999998 110.164 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 95.9 p -146.45 163.72 34.76 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.742 -0.599 . . . . 22.91 110.228 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.488 HG22 ' HG3' ' A' ' 78' ' ' LYS . 19.6 m -84.63 -61.74 1.72 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.68 -0.637 . . . . 23.489999999999998 110.224 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.488 ' HG3' HG22 ' A' ' 77' ' ' THR . 56.6 mtmt -139.35 141.46 37.64 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.706 -0.621 . . . . 25.059999999999999 110.35 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.9 mm? -103.29 142.9 33.41 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.718 -0.614 . . . . 24.77 110.093 178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 tttt -91.85 130.2 37.67 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.696 -0.627 . . . . 24.960000000000001 110.078 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -66.28 -32.18 73.43 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.677 -0.639 . . . . 26.300000000000001 110.429 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.25 75.14 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.569 -0.707 . . . . 26.27 110.285 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -100.05 137.92 37.83 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.665 -0.647 . . . . 25.600000000000001 110.062 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.0 m -152.63 -46.65 0.1 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.674 -0.641 . . . . 26.109999999999999 110.337 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -111.71 145.62 38.98 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.638 -0.664 . . . . 28.59 110.295 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -137.51 166.62 23.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.711 -0.618 . . . . 26.32 110.185 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 51.5 p 48.77 96.56 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.373 0 CA-C-O 121.387 0.613 . . . . 26.420000000000002 111.658 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.4 -41.18 98.47 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.589 -0.694 . . . . 28.309999999999999 110.582 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.29 -69.8 0.74 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.71 -0.619 . . . . 28.379999999999999 110.253 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -145.17 -63.12 0.34 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.62 -0.675 . . . . 28.52 110.173 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -138.8 -177.48 4.89 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.703 -0.623 . . . . 30.059999999999999 110.216 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.5 m -109.02 148.3 30.99 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.649 -0.657 . . . . 27.25 110.272 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.54 -36.2 83.11 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.665 -0.647 . . . . 28.149999999999999 110.383 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -84.12 132.98 34.64 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.597 -0.689 . . . . 27.850000000000001 110.09 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 90.7 m 52.12 -176.66 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.644 -0.66 . . . . 29.32 111.186 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.12 -37.34 17.46 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.685 . . . . 30.030000000000001 110.159 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -133.01 152.02 52.0 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.693 -0.629 . . . . 31.329999999999998 110.145 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -96.33 132.13 42.14 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.748 -0.595 . . . . 31.629999999999999 110.092 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -148.95 164.02 35.77 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.703 -0.623 . . . . 32.350000000000001 110.182 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 52.53 51.94 15.11 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.55 -0.719 . . . . 33.100000000000001 110.851 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -60.84 -41.64 96.2 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.501 -0.749 . . . . 33.009999999999998 110.59 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.44 -165.91 0.06 Allowed 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.625 -0.672 . . . . 34.240000000000002 111.052 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -98.81 28.36 4.36 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.659 -0.65 . . . . 35.380000000000003 110.666 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 t30 58.54 -79.37 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.804 -0.56 . . . . 36.560000000000002 111.426 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.3 tp -66.05 -35.89 81.77 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.194 -0.941 . . . . 37.420000000000002 110.411 -176.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -106.77 148.55 28.32 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.718 -0.613 . . . . 37.549999999999997 110.322 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 89.7 mttt 53.87 63.4 2.2 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 121.626 -0.671 . . . . 38.280000000000001 110.929 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -64.56 -38.02 89.56 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.544 -0.723 . . . . 39.969999999999999 110.33 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -159.82 59.4 0.37 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.712 -0.618 . . . . 39.350000000000001 110.141 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 36.6 tttp 53.21 36.43 22.54 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.386 -0.821 . . . . 40.390000000000001 110.8 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt 53.61 32.09 13.78 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.569 -0.707 . . . . 43.280000000000001 110.984 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -139.35 143.25 37.68 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.617 -0.677 . . . . 42.270000000000003 110.164 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.57 137.98 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.672 -0.643 . . . . 42.530000000000001 110.183 179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -89.45 -48.23 7.46 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.677 -0.639 . . . . 43.920000000000002 110.233 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -109.14 148.26 31.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.732 -0.605 . . . . 43.399999999999999 110.221 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -101.65 141.5 34.42 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.708 -0.62 . . . . 43.75 110.178 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -160.68 -42.64 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.668 -0.645 . . . . 45.140000000000001 110.595 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 51.98 93.65 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.371 0 O-C-N 121.512 -0.742 . . . . 43.259999999999998 111.036 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -67.04 -37.4 84.02 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.674 -0.641 . . . . 44.710000000000001 110.222 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.9 pttt -137.12 158.53 44.24 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.665 -0.647 . . . . 44.340000000000003 110.348 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.505 2.311 0 CA-C-O 118.34 -0.838 . . . . 43.460000000000001 110.93 -179.553 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -100.98 139.85 36.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.726 -0.867 . . . . 0.0 110.229 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -65.91 -36.04 82.28 Favored 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.663 -0.648 . . . . 0.0 110.364 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -95.74 138.17 13.8 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm -126.25 157.36 38.49 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.638 -0.919 . . . . 0.0 110.167 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 m -120.93 148.99 43.32 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.646 -0.659 . . . . 0.0 110.307 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.5 t -67.12 -30.31 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.749 -0.595 . . . . 0.0 110.044 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.38 -29.24 69.79 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.523 -0.736 . . . . 0.0 110.75 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -63.78 -39.66 94.8 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.565 -0.71 . . . . 0.0 110.319 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.491 ' O ' HD12 ' A' ' 25' ' ' ILE . 97.8 m-85 -83.23 -36.92 24.22 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.711 -0.618 . . . . 0.0 110.011 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -67.52 124.79 24.2 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.714 -0.616 . . . . 0.0 109.892 179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.22 -0.16 89.41 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -87.16 148.03 25.36 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.158 -1.201 . . . . 0.0 110.01 176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.3 t-20 -91.31 114.8 27.43 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.6 -0.687 . . . . 0.0 110.014 178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.472 HG12 HG12 ' A' ' 57' ' ' ILE . 26.9 m -131.84 164.49 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.783 -0.573 . . . . 0.0 109.545 177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.613 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.0 tt0 -118.61 145.98 45.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.555 -0.716 . . . . 0.0 109.521 173.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.4 p -133.68 142.49 41.37 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.465 -0.772 . . . . 0.0 109.679 178.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.82 136.0 37.98 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 119.009 -1.077 . . . . 0.0 109.424 169.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -84.04 176.17 9.02 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.836 -0.746 . . . . 0.0 109.964 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.55 -22.46 44.76 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.718 -0.614 . . . . 0.0 111.481 -176.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -100.7 25.49 7.81 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.442 -0.786 . . . . 0.0 111.234 -176.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 59.05 26.06 14.64 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.175 -0.953 . . . . 0.0 110.952 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -98.13 132.91 43.26 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 167.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.7 ' HG2' HD22 ' A' ' 14' ' ' LEU . 42.3 mttt -109.74 135.92 49.89 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.55 -0.719 . . . . 0.0 110.358 -171.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.14 151.08 41.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.797 -0.565 . . . . 0.0 109.985 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -136.61 157.43 46.8 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.559 -0.713 . . . . 0.0 110.263 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.92 48.56 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.0 t -93.1 132.59 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.894 . . . . 0.0 109.434 177.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 6' ' ' PHE . 58.5 mt -65.56 137.14 25.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.698 -0.626 . . . . 0.0 110.244 -177.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.728 HG21 ' HB2' ' A' ' 38' ' ' ARG . 29.6 p -125.2 -16.11 6.07 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.903 -0.498 . . . . 0.0 111.604 -178.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -158.19 151.86 23.58 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.985 -1.072 . . . . 0.0 111.132 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -149.08 132.66 16.76 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -122.12 123.16 40.9 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 109.828 -176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -74.39 -29.46 61.54 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.798 -0.563 . . . . 0.0 110.755 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -64.08 -42.83 96.8 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.469 -0.769 . . . . 0.0 110.734 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.734 ' OD1' HD11 ' A' ' 34' ' ' ILE . 8.4 t-20 -124.0 5.09 8.64 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.566 -0.709 . . . . 0.0 111.463 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 52.11 67.1 1.03 Allowed 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.116 -0.99 . . . . 0.0 111.091 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.064 HD12 HG22 ' A' ' 48' ' ' VAL . 46.2 mm -117.8 132.46 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.523 -0.735 . . . . 0.0 109.579 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.0 tp -124.72 123.57 40.28 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.712 -0.618 . . . . 0.0 110.309 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -96.91 128.66 44.09 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.813 -0.555 . . . . 0.0 109.587 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.8 mt -112.22 126.0 54.75 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.759 -0.588 . . . . 0.0 110.091 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.728 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.5 ttt85 -112.2 121.35 44.67 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.757 -0.589 . . . . 0.0 109.933 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.9 tp -102.02 158.0 16.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.536 -174.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.38 -4.68 8.61 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.899 -0.5 . . . . 0.0 112.083 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.47 29.83 0.75 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.034 -1.041 . . . . 0.0 110.798 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.87 29.49 17.63 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.168 -0.957 . . . . 0.0 110.316 177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.6 m -123.55 137.16 54.81 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.505 -0.747 . . . . 0.0 110.218 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -131.06 146.63 52.44 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.696 -0.627 . . . . 0.0 110.172 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HD2' HD11 ' A' ' 47' ' ' ILE . 36.9 ttmt -144.04 140.04 29.31 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.715 -0.616 . . . . 0.0 110.475 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.7 p -97.18 120.11 36.93 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.73 -0.606 . . . . 0.0 110.012 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 45' ' ' LYS . 80.1 mt -129.61 130.53 67.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.658 -0.651 . . . . 0.0 109.508 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.064 HG22 HD12 ' A' ' 34' ' ' ILE . 40.1 t -73.13 136.41 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -63.07 -24.57 67.97 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.557 -0.715 . . . . 0.0 111.346 -172.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.78 -25.28 62.93 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.278 -0.888 . . . . 0.0 111.039 -175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -88.11 10.53 18.93 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.489 -0.757 . . . . 0.0 111.289 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.6 mt -76.13 112.92 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 O-C-N 121.19 -0.944 . . . . 0.0 109.722 173.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -81.45 -39.6 24.6 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 120.091 -0.643 . . . . 0.0 110.146 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.6 m-20 -152.73 146.6 25.25 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.624 -0.673 . . . . 0.0 110.867 -173.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 52' ' ' ILE . 15.8 mt -127.81 144.24 51.09 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.696 -0.627 . . . . 0.0 110.892 -176.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -149.04 159.0 44.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.737 -0.602 . . . . 0.0 109.819 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.472 HG12 HG12 ' A' ' 11' ' ' VAL . 68.7 mt -110.76 130.1 64.75 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.57 -0.706 . . . . 0.0 109.423 177.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.613 HD11 ' HB2' ' A' ' 12' ' ' GLU . 47.4 mt -88.19 154.04 51.69 Favored Pre-proline 0 N--CA 1.497 1.892 0 O-C-N 121.618 -0.676 . . . . 0.0 110.097 -175.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -62.78 155.36 60.04 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 O-C-N 123.553 1.291 . . . . 0.0 110.558 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -88.32 122.13 31.5 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.642 -0.661 . . . . 0.0 110.041 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -119.31 126.39 51.34 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.695 -0.628 . . . . 0.0 110.233 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -103.68 145.32 30.24 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.672 -0.643 . . . . 0.0 110.116 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 pt -123.95 154.93 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.621 -0.674 . . . . 0.0 110.312 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.71 155.81 92.86 Favored Pre-proline 0 N--CA 1.499 2.012 0 O-C-N 121.7 -0.625 . . . . 0.0 110.281 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -66.68 139.23 52.06 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 O-C-N 123.662 1.349 . . . . 0.0 110.387 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -125.22 140.93 52.42 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.726 -0.609 . . . . 0.0 110.218 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -109.69 131.69 54.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 110.168 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.91 -175.22 47.19 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.1 p -123.65 166.12 16.04 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.689 -0.889 . . . . 0.0 110.145 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -98.34 26.39 5.47 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.685 -0.635 . . . . 0.0 110.746 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 72' ' ' PRO . 0.7 OUTLIER -72.28 -56.92 3.92 Favored Pre-proline 0 N--CA 1.497 1.916 0 O-C-N 121.503 -0.748 . . . . 0.0 110.505 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 71' ' ' SER . 32.5 Cg_endo -69.75 -29.15 24.37 Favored 'Trans proline' 0 N--CA 1.488 1.175 0 O-C-N 123.323 1.17 . . . . 0.0 110.631 -178.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.1 t -94.98 148.56 22.19 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.588 -0.695 . . . . 0.0 110.169 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 t -130.37 164.9 23.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.691 -0.631 . . . . 0.0 110.342 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -102.42 -167.57 1.42 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.712 -0.618 . . . . 0.0 110.456 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.3 p -64.9 -30.07 71.04 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.667 -0.646 . . . . 0.0 110.849 -176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 49.2 p -126.35 150.0 48.83 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.548 -0.72 . . . . 0.0 110.377 -178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -81.36 -31.64 33.27 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.735 -0.603 . . . . 0.0 110.427 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -92.85 132.87 36.62 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.601 -0.687 . . . . 0.0 110.146 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -99.59 30.24 3.7 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.673 -0.642 . . . . 0.0 110.48 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.3 p -67.35 -32.29 73.13 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.559 -0.713 . . . . 0.0 110.415 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.63 -33.69 74.46 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.638 -0.664 . . . . 0.0 110.315 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -103.45 138.46 40.15 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.691 -0.63 . . . . 0.0 110.254 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.1 p -125.27 162.81 23.9 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.719 -0.613 . . . . 0.0 110.148 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -107.32 28.08 8.44 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.666 -0.646 . . . . 0.0 110.613 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.0 m -123.37 148.42 46.08 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.498 -0.751 . . . . 0.0 110.147 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.9 p -118.25 150.98 38.53 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.692 -0.63 . . . . 0.0 110.202 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -102.44 139.33 38.18 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.724 -0.61 . . . . 0.0 110.161 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -114.58 31.64 6.5 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.685 -0.634 . . . . 0.0 110.383 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -89.61 -67.97 0.81 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.634 -0.666 . . . . 0.0 110.166 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -115.29 139.46 49.95 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.622 -0.674 . . . . 0.0 110.184 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -123.56 142.83 50.64 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.691 -0.63 . . . . 0.0 110.22 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.8 mtt -108.14 -39.54 5.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.668 -0.645 . . . . 0.0 110.162 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -95.74 132.93 40.44 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.699 -0.626 . . . . 0.0 110.155 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.1 t -122.8 120.97 35.14 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.729 -0.607 . . . . 0.0 110.135 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -96.2 144.51 26.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.76 -0.587 . . . . 0.0 110.248 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -104.76 140.75 37.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.705 -0.622 . . . . 0.0 110.098 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -121.32 139.35 53.53 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.674 -0.641 . . . . 0.0 110.226 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.29 152.97 35.8 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.689 -0.632 . . . . 0.0 110.108 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -85.63 99.69 11.45 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.706 -0.621 . . . . 0.0 110.144 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -163.01 119.88 1.88 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.736 -0.602 . . . . 0.0 110.161 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.77 148.98 27.85 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.254 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.78 -58.95 1.79 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.683 -0.635 . . . . 0.0 110.133 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -106.93 129.86 54.68 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.708 -0.62 . . . . 0.0 110.133 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.457 HD23 ' C ' ' A' ' 105' ' ' LEU . 7.9 tt -105.55 127.77 53.21 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.622 -0.673 . . . . 0.0 110.2 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.05 -67.55 0.43 Allowed 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.679 -0.638 . . . . 0.0 110.076 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -131.22 27.7 4.78 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.607 -0.683 . . . . 0.0 110.545 178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.83 -32.89 11.87 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.517 -0.739 . . . . 0.0 110.442 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -86.26 116.07 24.2 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.648 -0.658 . . . . 0.0 110.209 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -123.94 147.06 48.03 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.711 -0.618 . . . . 0.0 110.096 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.6 mttp -94.32 127.51 40.24 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.653 -0.654 . . . . 0.0 110.202 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -137.21 160.49 38.86 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.654 -0.654 . . . . 0.0 110.179 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.22 133.1 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.896 0 O-C-N 121.689 -0.632 . . . . 0.0 109.677 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -111.2 148.86 31.87 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.692 -0.63 . . . . 0.0 110.23 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -94.95 147.31 23.52 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.702 -0.624 . . . . 0.0 110.175 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -103.45 168.6 9.06 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.702 -0.624 . . . . 0.0 110.218 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 52.61 94.1 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.61 -0.681 . . . . 0.0 110.994 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -98.45 18.44 16.57 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.652 -0.655 . . . . 0.0 111.044 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -101.12 25.07 8.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.342 -0.848 . . . . 0.0 110.634 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.3 tttt -67.06 -38.59 86.08 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.441 -0.787 . . . . 0.0 110.257 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.196 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -88.95 112.07 22.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.669 -0.9 . . . . 0.0 110.118 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -66.88 -36.35 82.1 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.643 -0.661 . . . . 0.0 110.328 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.37 40.51 33.13 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -100.93 164.0 12.03 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.767 -0.843 . . . . 0.0 110.31 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -111.08 161.04 16.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.72 -0.613 . . . . 0.0 110.195 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.1 t -62.6 -30.79 50.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.198 0 O-C-N 121.629 -0.67 . . . . 0.0 110.187 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.07 70.73 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.19 -38.82 91.69 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.641 -0.662 . . . . 0.0 110.244 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -68.67 -31.67 70.95 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.688 -0.633 . . . . 0.0 110.219 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.95 126.88 29.4 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.645 -0.659 . . . . 0.0 110.146 176.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.44 1.25 75.07 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.516 ' OG ' HD12 ' A' ' 25' ' ' ILE . 75.3 p -87.17 150.0 24.25 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.195 -1.179 . . . . 0.0 110.11 178.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -96.91 114.95 26.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.624 -0.672 . . . . 0.0 110.015 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 25' ' ' ILE . 30.6 m -129.68 163.9 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.856 -0.528 . . . . 0.0 109.6 178.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.609 ' HB2' HD11 ' A' ' 58' ' ' LEU . 48.7 tt0 -118.64 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.548 -0.72 . . . . 0.0 109.236 172.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.6 p -135.43 140.8 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.627 -0.671 . . . . 0.0 109.725 177.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -95.59 136.05 36.47 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.068 -1.053 . . . . 0.0 109.719 171.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.34 177.65 8.41 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 119.901 -0.72 . . . . 0.0 110.004 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -58.73 -21.56 55.53 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.704 -0.622 . . . . 0.0 111.539 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -99.17 24.26 8.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.415 -0.803 . . . . 0.0 111.139 -175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 58.16 25.63 12.76 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 121.297 -0.877 . . . . 0.0 110.776 175.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.9 p -97.16 132.94 42.45 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 170.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.704 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.76 139.09 45.22 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.49 -171.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 148.54 38.68 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.801 -0.562 . . . . 0.0 110.046 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.558 ' O ' HD13 ' A' ' 39' ' ' LEU . 10.9 ptm180 -139.45 147.39 41.31 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.652 -0.655 . . . . 0.0 110.395 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -173.33 45.6 Favored Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.64 141.43 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.575 -0.956 . . . . 0.0 109.755 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.516 HD12 ' OG ' ' A' ' 9' ' ' SER . 96.2 mt -80.73 139.61 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 121.552 -0.717 . . . . 0.0 110.025 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.692 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.9 p -125.19 -36.16 2.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.738 -0.601 . . . . 0.0 111.483 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -139.28 150.14 45.11 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.139 -0.975 . . . . 0.0 111.063 -173.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -149.1 133.34 17.38 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.07 123.28 41.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.699 -0.626 . . . . 0.0 109.885 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -75.84 -30.51 58.97 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.775 -0.578 . . . . 0.0 110.727 -177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.4 p -66.82 -38.92 87.39 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.523 -0.736 . . . . 0.0 110.716 -176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.0 2.62 8.68 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.643 -0.66 . . . . 0.0 111.492 -178.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m 51.83 67.06 1.02 Allowed 'General case' 0 N--CA 1.507 2.393 0 O-C-N 121.19 -0.943 . . . . 0.0 110.936 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.07 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.26 133.43 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.638 -0.664 . . . . 0.0 109.645 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.6 tp -125.09 124.72 42.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.683 -0.635 . . . . 0.0 110.154 -174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -98.91 129.49 45.25 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.811 -0.556 . . . . 0.0 109.84 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.89 119.94 40.74 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.897 -0.502 . . . . 0.0 109.89 178.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.692 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.4 ttt85 -96.91 125.04 41.06 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.738 -0.601 . . . . 0.0 109.751 176.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.4 tp -102.1 151.05 22.62 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.709 -0.619 . . . . 0.0 110.773 -174.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.44 -8.45 13.57 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.9 -0.5 . . . . 0.0 111.941 -173.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -86.01 29.74 0.71 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.111 -0.993 . . . . 0.0 111.049 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 60.56 27.5 17.18 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.93 -1.106 . . . . 0.0 110.492 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.7 m -121.62 141.68 50.87 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.423 -0.798 . . . . 0.0 110.119 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.76 144.12 51.14 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.658 -0.651 . . . . 0.0 110.191 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -144.03 138.51 28.4 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.624 -0.672 . . . . 0.0 110.315 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.8 p -99.38 122.98 43.27 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.778 -0.576 . . . . 0.0 109.989 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.9 mt -128.87 131.52 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.668 -0.645 . . . . 0.0 109.455 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.07 HG22 HD12 ' A' ' 34' ' ' ILE . 39.6 t -74.85 136.24 25.56 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.634 -0.667 . . . . 0.0 109.22 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.5 p -64.5 -24.53 67.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.61 -0.681 . . . . 0.0 111.473 -172.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.99 -24.72 59.32 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.256 -0.902 . . . . 0.0 110.825 -175.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.51 9.5 20.77 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.481 -0.762 . . . . 0.0 111.368 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.9 mt -77.08 112.98 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 121.124 -0.985 . . . . 0.0 109.802 174.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -82.38 -39.95 22.0 Favored 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.219 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 13' ' ' VAL . 68.6 m-20 -150.85 143.17 24.23 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.616 -0.678 . . . . 0.0 110.839 -173.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD11 HG21 ' A' ' 52' ' ' ILE . 15.0 mt -123.5 144.18 49.7 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.732 -0.605 . . . . 0.0 110.878 -176.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -147.68 159.02 44.25 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.744 -0.597 . . . . 0.0 110.01 170.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.441 HG12 HG12 ' A' ' 11' ' ' VAL . 83.2 mt -113.46 130.01 68.24 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.606 -0.684 . . . . 0.0 109.356 176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.609 HD11 ' HB2' ' A' ' 12' ' ' GLU . 42.1 mt -89.62 137.77 28.53 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.588 -0.695 . . . . 0.0 109.953 -175.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -69.75 128.89 16.68 Favored 'Trans proline' 0 N--CA 1.488 1.19 0 O-C-N 123.396 1.208 . . . . 0.0 110.301 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp 52.73 -178.24 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.338 0 O-C-N 121.615 -0.678 . . . . 0.0 111.246 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -75.84 -37.55 58.89 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.652 -0.655 . . . . 0.0 110.219 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -120.0 149.16 42.59 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.658 -0.651 . . . . 0.0 110.218 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 81.3 mt -120.46 135.5 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.946 0 O-C-N 121.629 -0.669 . . . . 0.0 109.675 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.7 mmt -114.47 154.82 46.51 Favored Pre-proline 0 N--CA 1.495 1.797 0 O-C-N 121.7 -0.625 . . . . 0.0 110.18 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -68.6 136.06 35.11 Favored 'Trans proline' 0 N--CA 1.487 1.102 0 O-C-N 123.665 1.35 . . . . 0.0 110.316 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -66.49 -38.83 88.11 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.738 -0.601 . . . . 0.0 110.254 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -106.42 147.75 28.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.709 -0.619 . . . . 0.0 110.195 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.43 -152.61 5.91 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 36.9 p -100.89 32.41 3.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.766 -0.843 . . . . 0.0 110.351 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 53.79 47.13 24.34 Favored 'General case' 0 N--CA 1.506 2.346 0 O-C-N 121.559 -0.713 . . . . 0.0 110.806 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.4 p -82.06 155.53 69.91 Favored Pre-proline 0 N--CA 1.497 1.912 0 O-C-N 121.64 -0.662 . . . . 0.0 110.268 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -67.71 -39.21 12.18 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.727 1.383 . . . . 0.0 110.561 -178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.4 t -160.01 40.86 0.19 Allowed 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.605 -0.684 . . . . 0.0 110.39 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -117.41 143.32 46.13 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.552 -0.718 . . . . 0.0 110.112 178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 54.28 43.24 30.83 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.488 -0.758 . . . . 0.0 110.71 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.7 p -126.7 159.9 32.34 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.607 -0.683 . . . . 0.0 110.19 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.2 m -109.91 142.24 41.54 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.642 -0.661 . . . . 0.0 110.133 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -88.32 132.8 34.27 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.684 -0.635 . . . . 0.0 110.168 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD23 ' HB2' ' A' ' 81' ' ' SER . 16.3 tp -103.97 145.06 30.7 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.726 -0.609 . . . . 0.0 110.137 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -61.2 -32.62 72.37 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.643 -0.66 . . . . 0.0 110.623 -178.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.403 ' HB2' HD23 ' A' ' 79' ' ' LEU . 25.2 m -63.14 -32.65 74.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.615 -0.678 . . . . 0.0 110.476 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.17 -32.12 73.38 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.639 -0.663 . . . . 0.0 110.437 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -98.26 158.06 15.8 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.654 -0.653 . . . . 0.0 110.123 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.9 m -64.55 -40.06 94.9 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.647 -0.658 . . . . 0.0 110.344 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -159.15 -64.41 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.744 -0.598 . . . . 0.0 110.261 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 63.2 m -141.91 144.29 33.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.623 -0.673 . . . . 0.0 110.209 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.1 t -67.57 -35.51 79.15 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.594 -0.691 . . . . 0.0 110.16 178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -105.41 157.63 17.21 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.728 -0.607 . . . . 0.0 110.187 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -96.17 110.77 22.99 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.621 -0.674 . . . . 0.0 110.188 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -101.42 147.9 25.81 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.664 -0.647 . . . . 0.0 110.223 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.4 m-90 -105.02 130.47 53.22 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.654 -0.654 . . . . 0.0 110.169 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.3 p -89.59 -33.07 16.83 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.699 -0.626 . . . . 0.0 110.375 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 65.5 mtt -66.79 -36.16 81.75 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.638 -0.663 . . . . 0.0 110.3 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.92 133.54 33.9 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.661 -0.65 . . . . 0.0 110.19 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.2 p -148.51 152.23 36.51 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.699 -0.626 . . . . 0.0 110.341 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -108.17 152.5 24.47 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.617 -0.677 . . . . 0.0 110.368 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -126.93 156.16 41.94 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.627 -0.671 . . . . 0.0 110.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -104.42 147.78 27.17 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.706 -0.621 . . . . 0.0 110.163 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -138.78 164.08 30.54 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.613 -0.679 . . . . 0.0 110.356 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -143.86 176.23 9.42 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.712 -0.617 . . . . 0.0 110.3 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -102.95 130.82 50.14 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.674 -0.641 . . . . 0.0 110.21 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.97 135.84 45.57 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.72 -0.612 . . . . 0.0 110.181 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -95.37 -34.51 12.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.734 -0.604 . . . . 0.0 110.245 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.92 -33.63 76.48 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.635 -0.666 . . . . 0.0 110.465 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.3 mp -93.56 141.36 28.55 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.746 -0.596 . . . . 0.0 110.176 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -99.09 146.41 26.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.751 -0.593 . . . . 0.0 110.204 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -100.88 151.27 21.93 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.658 -0.651 . . . . 0.0 110.136 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -98.5 25.43 6.38 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.636 -0.665 . . . . 0.0 110.718 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.428 ' HB2' HG21 ' A' ' 113' ' ' VAL . 74.0 m-20 -94.61 130.74 40.95 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.501 -0.749 . . . . 0.0 110.174 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -126.7 163.21 24.01 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.621 -0.674 . . . . 0.0 110.146 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 33.2 tttp 65.39 -65.71 0.16 Allowed 'General case' 0 N--CA 1.508 2.472 0 O-C-N 122.087 -0.383 . . . . 0.0 110.972 -178.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -59.96 -30.4 69.07 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.379 -0.826 . . . . 0.0 110.742 -178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 109' ' ' ASP . 60.4 t -92.52 138.43 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 O-C-N 121.55 -0.719 . . . . 0.0 109.717 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -110.04 152.83 25.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.706 -0.621 . . . . 0.0 110.248 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.23 -32.39 73.78 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.764 -0.585 . . . . 0.0 110.425 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -96.87 153.98 17.57 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.666 -0.646 . . . . 0.0 110.081 179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -103.29 130.93 50.68 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.649 -0.657 . . . . 0.0 110.248 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.26 117.67 22.73 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.725 -0.61 . . . . 0.0 110.055 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.93 165.48 25.03 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.689 -0.632 . . . . 0.0 110.347 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -64.56 -34.37 78.09 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.635 -0.666 . . . . 0.0 110.384 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.506 2.36 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.987 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.28 -33.43 75.29 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.617 -0.931 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.8 mtp -123.57 160.67 26.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.643 -0.661 . . . . 0.0 110.22 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -143.83 179.24 21.36 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt -101.81 145.63 28.9 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.661 -0.905 . . . . 0.0 110.23 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 m -119.73 150.3 40.6 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.651 -0.656 . . . . 0.0 110.221 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.39 -31.03 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 121.727 -0.608 . . . . 0.0 110.121 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.81 -30.75 71.03 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.559 -0.713 . . . . 0.0 110.63 -178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -64.42 -39.81 94.55 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.635 -0.666 . . . . 0.0 110.41 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.67 -31.28 57.18 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.647 -0.658 . . . . 0.0 110.28 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.51 128.1 34.89 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.596 -0.69 . . . . 0.0 110.023 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.37 2.27 90.42 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 110.49 -1.044 . . . . 0.0 110.49 -176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 t -87.18 141.6 28.53 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.255 -1.144 . . . . 0.0 110.081 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.39 114.8 27.45 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.603 -0.685 . . . . 0.0 109.621 177.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.445 HG12 HG12 ' A' ' 57' ' ' ILE . 26.8 m -133.94 163.86 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.785 0 O-C-N 121.675 -0.64 . . . . 0.0 109.939 -178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.646 ' HB2' HD11 ' A' ' 58' ' ' LEU . 50.9 tt0 -118.67 146.13 44.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.539 -0.726 . . . . 0.0 109.557 173.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.86 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.13 142.51 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.562 -0.711 . . . . 0.0 109.772 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.738 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.82 136.12 36.66 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.066 -1.053 . . . . 0.0 109.461 169.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -83.71 176.51 8.91 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.101 177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -56.66 -22.62 35.91 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 121.696 -0.628 . . . . 0.0 111.461 -176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -100.22 25.45 7.53 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.532 -0.73 . . . . 0.0 111.019 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.13 25.83 12.94 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.294 -0.879 . . . . 0.0 110.742 175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.5 p -93.78 132.97 37.65 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.738 ' HG2' HD22 ' A' ' 14' ' ' LEU . 33.7 mttp -109.71 135.93 49.86 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.482 -0.761 . . . . 0.0 110.483 -171.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 153.0 43.79 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.792 -0.568 . . . . 0.0 109.822 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.552 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.2 ptt180 -143.24 152.79 42.11 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.566 -0.709 . . . . 0.0 110.668 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.85 -174.74 46.83 Favored Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.9 t -96.17 130.37 44.95 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.59 -0.947 . . . . 0.0 109.78 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 37' ' ' LEU . 90.1 mt -69.61 141.81 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.663 -0.648 . . . . 0.0 110.027 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.665 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.19 -36.1 2.55 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.72 -0.613 . . . . 0.0 111.504 178.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -141.05 150.56 43.12 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.099 -1.001 . . . . 0.0 111.103 -172.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -149.11 133.25 17.28 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.05 121.22 36.48 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.706 -0.622 . . . . 0.0 109.899 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -70.82 -26.15 63.17 Favored 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.869 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 t -61.52 -49.63 75.95 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.431 -0.793 . . . . 0.0 110.773 -177.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.766 ' OD1' HD11 ' A' ' 34' ' ' ILE . 10.1 t-20 -124.04 10.79 8.84 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.584 -0.698 . . . . 0.0 111.342 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.2 m 51.31 67.0 1.02 Allowed 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.252 -0.905 . . . . 0.0 111.177 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.067 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -115.79 131.81 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 O-C-N 121.471 -0.768 . . . . 0.0 109.684 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.8 tp -122.34 123.7 41.99 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.785 -0.572 . . . . 0.0 110.242 -174.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -97.04 127.68 43.25 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 120.357 -0.537 . . . . 0.0 109.793 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.2 mt -110.94 119.95 40.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.844 -0.535 . . . . 0.0 109.971 178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.665 ' HB2' HG21 ' A' ' 26' ' ' THR . 6.1 tmm_? -97.79 124.76 42.29 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.674 -0.641 . . . . 0.0 109.822 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.09 149.69 24.01 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.694 -0.629 . . . . 0.0 110.835 -173.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.85 -9.27 14.1 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.973 -0.455 . . . . 0.0 111.847 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -85.75 31.03 0.62 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.144 -0.973 . . . . 0.0 110.978 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 57.89 29.45 17.59 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.03 -1.043 . . . . 0.0 110.335 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.3 m -121.62 141.17 51.37 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.069 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -128.77 142.84 50.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.619 -0.676 . . . . 0.0 110.175 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttt -144.04 137.5 27.67 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.322 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.0 p -99.19 122.71 42.75 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.697 -0.627 . . . . 0.0 109.976 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 81.2 mt -128.29 134.89 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.642 -0.661 . . . . 0.0 109.481 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.067 HG22 HD12 ' A' ' 34' ' ' ILE . 40.5 t -78.79 135.92 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.614 -0.679 . . . . 0.0 109.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.41 ' HB ' HD12 ' A' ' 52' ' ' ILE . 70.6 p -63.57 -24.6 67.87 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.585 -0.697 . . . . 0.0 111.351 -172.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -58.29 -25.09 61.42 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.362 -0.836 . . . . 0.0 110.799 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -87.84 10.13 19.61 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.467 -0.771 . . . . 0.0 111.413 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.86 HG23 ' CG2' ' A' ' 13' ' ' VAL . 82.2 mt -78.52 112.97 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 121.213 -0.929 . . . . 0.0 109.831 174.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -82.04 -39.61 23.25 Favored 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.149 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.5 m-20 -152.42 145.23 24.36 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.892 -173.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD11 HG21 ' A' ' 52' ' ' ILE . 15.5 mt -125.54 144.24 50.65 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.764 -0.585 . . . . 0.0 110.788 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -147.59 159.02 44.23 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.6 -0.688 . . . . 0.0 109.824 171.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG12 HG12 ' A' ' 11' ' ' VAL . 83.1 mt -112.89 130.06 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.614 -0.679 . . . . 0.0 109.411 176.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 12' ' ' GLU . 71.0 mt -94.98 153.46 39.87 Favored Pre-proline 0 N--CA 1.497 1.909 0 O-C-N 121.691 -0.63 . . . . 0.0 110.129 -176.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -70.39 83.37 0.81 Allowed 'Trans proline' 0 N--CA 1.487 1.094 0 O-C-N 123.685 1.361 . . . . 0.0 110.313 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -134.22 157.3 46.61 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.48 -0.762 . . . . 0.0 110.209 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.2 t30 54.86 42.24 31.28 Favored 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.508 -0.745 . . . . 0.0 110.749 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.02 -32.32 73.46 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.679 -0.638 . . . . 0.0 110.43 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.7 mt -107.05 140.71 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.652 -0.655 . . . . 0.0 109.68 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -88.26 163.58 36.31 Favored Pre-proline 0 N--CA 1.496 1.845 0 O-C-N 121.747 -0.596 . . . . 0.0 110.199 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -65.54 -31.36 50.91 Favored 'Trans proline' 0 N--CA 1.489 1.243 0 O-C-N 123.663 1.349 . . . . 0.0 110.679 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -87.65 126.18 34.81 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.649 -0.657 . . . . 0.0 110.152 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -90.97 -34.57 15.11 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.749 -0.595 . . . . 0.0 110.227 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.28 77.39 1.36 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.8 m -89.86 140.39 29.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.613 -0.933 . . . . 0.0 110.224 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -90.62 136.75 32.86 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.817 -0.552 . . . . 0.0 110.175 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -124.2 87.8 53.32 Favored Pre-proline 0 N--CA 1.496 1.841 0 O-C-N 121.648 -0.657 . . . . 0.0 110.193 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -66.19 -31.79 43.98 Favored 'Trans proline' 0 N--CA 1.49 1.283 0 O-C-N 123.543 1.286 . . . . 0.0 110.521 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.7 t -86.31 173.91 9.41 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.583 -0.698 . . . . 0.0 110.154 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 37.2 p -98.98 30.98 3.16 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.762 -0.586 . . . . 0.0 110.507 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -100.31 32.86 2.86 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.579 -0.701 . . . . 0.0 110.295 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -64.47 -29.35 70.39 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.63 -0.669 . . . . 0.0 110.652 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -64.0 -36.33 83.63 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.592 -0.692 . . . . 0.0 110.293 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 88.5 mttt 52.77 93.85 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.634 -0.667 . . . . 0.0 111.071 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.26 -34.44 78.35 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.654 -0.654 . . . . 0.0 110.28 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 79.0 mttt 53.31 43.2 31.76 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.595 -0.691 . . . . 0.0 110.964 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.1 t -63.73 -35.85 81.92 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.568 -0.708 . . . . 0.0 110.383 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.21 -33.31 74.17 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.65 -0.656 . . . . 0.0 110.242 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -66.16 -32.69 74.29 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.703 -0.623 . . . . 0.0 110.288 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.1 m -65.41 -40.75 93.79 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.613 -0.68 . . . . 0.0 110.276 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -67.2 -42.75 83.65 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.705 -0.622 . . . . 0.0 110.231 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 90.1 p -146.74 155.27 42.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.716 -0.615 . . . . 0.0 110.063 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 t -120.93 141.79 50.33 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.669 -0.644 . . . . 0.0 110.328 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -134.76 145.63 48.61 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.701 -0.625 . . . . 0.0 110.241 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -107.35 117.81 35.07 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.745 -0.597 . . . . 0.0 110.227 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -65.93 -35.84 81.72 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.707 -0.621 . . . . 0.0 110.326 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 12.4 m-90 -110.83 140.29 45.41 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.664 -0.647 . . . . 0.0 110.208 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.6 p -103.07 28.57 6.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.671 -0.643 . . . . 0.0 110.545 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 23.1 ttt -66.29 -34.95 79.16 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.596 -0.69 . . . . 0.0 110.266 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -106.05 162.01 13.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.643 -0.661 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.2 t -99.0 -48.41 4.89 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.757 -0.589 . . . . 0.0 110.234 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -128.63 -59.74 1.13 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.654 -0.653 . . . . 0.0 110.16 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -106.18 138.12 42.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.679 -0.638 . . . . 0.0 110.178 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -70.14 -38.98 75.65 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.676 -0.64 . . . . 0.0 110.267 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -162.52 -46.36 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.662 -0.649 . . . . 0.0 110.334 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -69.06 145.39 53.51 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.63 -0.669 . . . . 0.0 110.239 -178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -133.58 161.4 34.71 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.708 -0.62 . . . . 0.0 110.211 179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.08 144.96 53.82 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.643 -0.661 . . . . 0.0 110.184 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.13 -32.92 74.37 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.719 -0.613 . . . . 0.0 110.366 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.3 p30 -95.82 154.59 17.15 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.609 -0.682 . . . . 0.0 110.308 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.0 mt -102.22 129.84 48.72 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.661 -0.649 . . . . 0.0 110.229 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -68.94 -34.07 74.75 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.691 -0.631 . . . . 0.0 110.186 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -96.29 170.73 9.04 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.725 -0.609 . . . . 0.0 110.137 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -63.99 -37.04 85.96 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.651 -0.656 . . . . 0.0 110.47 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -150.04 29.22 0.73 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.628 -0.67 . . . . 0.0 110.48 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.0 tttp 52.05 89.9 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 O-C-N 121.496 -0.753 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -93.02 128.52 38.92 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.663 -0.648 . . . . 0.0 110.106 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -120.09 147.31 45.01 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.648 -0.658 . . . . 0.0 110.211 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.97 -24.58 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.125 0 O-C-N 121.711 -0.618 . . . . 0.0 110.757 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.49 -39.12 92.48 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.476 -0.765 . . . . 0.0 110.601 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.01 95.01 9.97 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.662 -0.649 . . . . 0.0 110.208 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -68.86 -34.69 75.87 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.715 -0.615 . . . . 0.0 110.188 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -106.14 150.09 26.16 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.691 -0.631 . . . . 0.0 110.288 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -138.21 158.91 43.37 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.675 -0.641 . . . . 0.0 110.33 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -98.84 29.34 3.82 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.745 -0.597 . . . . 0.0 110.609 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -91.29 132.51 36.1 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.598 -0.689 . . . . 0.0 110.148 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 N--CA 1.495 1.796 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.195 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.505 -1.438 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.28 141.93 35.06 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.603 -0.939 . . . . 0.0 110.208 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.61 -34.67 78.77 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.626 -0.671 . . . . 0.0 110.337 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 101.26 -34.5 5.6 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.2 mtm -127.17 157.5 39.57 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.63 -0.924 . . . . 0.0 110.147 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -120.62 151.06 39.94 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.648 -0.658 . . . . 0.0 110.279 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.5 -31.34 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 O-C-N 121.74 -0.6 . . . . 0.0 110.057 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.61 -30.5 70.73 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.602 -0.686 . . . . 0.0 110.747 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -64.32 -39.7 94.42 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.573 -0.704 . . . . 0.0 110.353 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -71.12 -31.88 68.31 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.709 -0.619 . . . . 0.0 110.212 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -72.37 131.1 42.18 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.535 -0.728 . . . . 0.0 109.811 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.52 0.85 88.02 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 110.619 -0.993 . . . . 0.0 110.619 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.5 p -87.19 149.07 24.88 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.232 -1.158 . . . . 0.0 110.113 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -95.65 114.86 26.65 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 109.949 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 25' ' ' ILE . 27.1 m -129.48 162.24 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.762 -0.586 . . . . 0.0 109.754 178.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.589 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.0 tt0 -118.68 146.02 45.04 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.578 -0.701 . . . . 0.0 109.706 174.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.868 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.7 p -133.49 143.27 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.484 -0.76 . . . . 0.0 110.019 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.76 136.07 34.42 Favored 'General case' 0 N--CA 1.494 1.756 0 C-N-CA 119.208 -0.997 . . . . 0.0 109.356 167.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -86.16 175.46 8.5 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.868 174.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.75 -20.61 36.13 Favored 'General case' 0 N--CA 1.506 2.358 0 O-C-N 121.713 -0.617 . . . . 0.0 111.589 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -95.16 23.74 5.5 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.434 -0.791 . . . . 0.0 111.031 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.56 25.76 13.54 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.39 -0.819 . . . . 0.0 110.783 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.4 p -100.9 143.35 31.16 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.516 -0.74 . . . . 0.0 109.172 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' HB3' HD22 ' A' ' 14' ' ' LEU . 30.3 pttt -109.9 141.12 43.07 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.525 -0.735 . . . . 0.0 110.964 -174.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.36 146.26 44.3 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.811 -0.556 . . . . 0.0 109.882 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.564 ' O ' HD13 ' A' ' 39' ' ' LEU . 9.1 ptm180 -138.39 144.51 40.27 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.525 -0.735 . . . . 0.0 110.578 -177.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.86 -175.0 47.06 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.8 t -92.82 138.3 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.72 -0.871 . . . . 0.0 109.742 -177.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 89.8 mt -80.49 139.88 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.031 0 O-C-N 121.587 -0.696 . . . . 0.0 110.112 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.541 HG21 ' CG ' ' A' ' 38' ' ' ARG . 39.7 p -125.22 -36.17 2.54 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.723 -0.611 . . . . 0.0 111.638 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -136.19 147.7 47.78 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.131 -0.98 . . . . 0.0 111.166 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -149.13 129.47 13.79 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.07 121.53 37.18 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.742 -0.599 . . . . 0.0 110.03 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.5 m -69.41 -29.96 67.81 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.746 -0.597 . . . . 0.0 110.696 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -60.33 -47.58 85.45 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 121.519 -0.738 . . . . 0.0 110.941 -175.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.719 ' ND2' HD11 ' A' ' 34' ' ' ILE . 65.4 t30 -123.98 8.96 8.7 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.575 -0.703 . . . . 0.0 111.359 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m 51.27 67.05 1.01 Allowed 'General case' 0 N--CA 1.507 2.376 0 O-C-N 121.274 -0.891 . . . . 0.0 111.025 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.047 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.99 134.58 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.463 -0.773 . . . . 0.0 109.728 -179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.407 HD11 HG23 ' A' ' 25' ' ' ILE . 11.9 tp -124.59 125.42 44.14 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.671 -0.643 . . . . 0.0 110.212 -175.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -102.92 129.0 49.5 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.737 -0.602 . . . . 0.0 109.89 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.88 122.25 47.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.851 -0.53 . . . . 0.0 110.191 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.541 ' CG ' HG21 ' A' ' 26' ' ' THR . 10.4 mmt85 -95.17 124.22 39.09 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.741 -0.6 . . . . 0.0 109.715 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.9 tp -102.08 149.52 24.18 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.763 -0.585 . . . . 0.0 110.777 -174.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.48 -7.55 14.88 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.953 -0.467 . . . . 0.0 111.919 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.83 28.68 0.87 Allowed 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.039 -1.038 . . . . 0.0 110.981 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.7 t0 61.21 28.02 17.67 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.958 -1.089 . . . . 0.0 110.466 178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.2 m -118.71 143.96 46.53 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.341 -0.849 . . . . 0.0 110.267 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -123.18 145.86 48.27 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.674 -0.641 . . . . 0.0 110.085 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -144.1 141.96 30.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.639 -0.663 . . . . 0.0 110.65 -178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.0 p -115.88 116.89 28.78 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.812 -0.555 . . . . 0.0 109.833 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.24 131.22 67.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 O-C-N 121.657 -0.652 . . . . 0.0 109.516 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.047 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.37 136.72 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.618 -0.676 . . . . 0.0 109.25 178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.4 ' HB ' HD12 ' A' ' 52' ' ' ILE . 75.0 p -62.4 -24.6 67.48 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.606 -0.684 . . . . 0.0 111.433 -172.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -57.25 -25.07 58.57 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.25 -0.906 . . . . 0.0 111.039 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -87.44 9.46 20.72 Favored 'General case' 0 N--CA 1.5 2.028 0 C-N-CA 119.838 -0.745 . . . . 0.0 111.388 175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.868 HG23 ' CG2' ' A' ' 13' ' ' VAL . 84.5 mt -78.87 113.0 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.181 -0.949 . . . . 0.0 109.792 174.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -81.57 -38.78 25.58 Favored 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 120.062 -0.655 . . . . 0.0 110.154 171.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.2 m-20 -153.35 147.94 26.18 Favored 'General case' 0 N--CA 1.504 2.24 0 C-N-CA 119.978 -0.689 . . . . 0.0 110.853 -175.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 52' ' ' ILE . 16.1 mt -127.77 144.15 51.1 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.779 -0.576 . . . . 0.0 110.898 -177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -146.28 159.02 43.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.73 -0.606 . . . . 0.0 109.722 171.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG12 HG12 ' A' ' 11' ' ' VAL . 78.4 mt -113.39 130.05 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.952 0 O-C-N 121.458 -0.776 . . . . 0.0 109.379 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.589 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.8 mt -92.31 128.8 43.48 Favored Pre-proline 0 N--CA 1.497 1.884 0 O-C-N 121.751 -0.593 . . . . 0.0 110.039 -174.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -68.69 158.5 57.53 Favored 'Trans proline' 0 N--CA 1.489 1.223 0 O-C-N 123.36 1.19 . . . . 0.0 110.301 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -87.33 123.73 32.61 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.639 -0.663 . . . . 0.0 110.118 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.98 -34.48 19.26 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.648 -0.658 . . . . 0.0 110.334 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -108.91 137.42 46.87 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.732 -0.605 . . . . 0.0 110.322 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.51 134.34 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.665 -0.647 . . . . 0.0 109.562 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.7 ttt -101.62 117.15 62.42 Favored Pre-proline 0 N--CA 1.495 1.802 0 O-C-N 121.676 -0.64 . . . . 0.0 110.067 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -69.09 -34.48 16.73 Favored 'Trans proline' 0 N--CA 1.488 1.147 0 O-C-N 123.364 1.191 . . . . 0.0 110.385 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -65.3 -37.6 87.64 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.716 -0.615 . . . . 0.0 110.504 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 51.87 -173.48 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.375 0 O-C-N 121.578 -0.701 . . . . 0.0 111.079 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.52 78.91 0.44 Allowed Glycine 0 N--CA 1.494 2.535 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.9 p -69.43 -33.71 73.36 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.661 -0.905 . . . . 0.0 110.205 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.3 mttm -103.16 141.93 35.02 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.66 -0.65 . . . . 0.0 110.28 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 t -126.93 84.29 63.67 Favored Pre-proline 0 N--CA 1.496 1.834 0 O-C-N 121.709 -0.62 . . . . 0.0 110.132 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -61.63 -31.26 86.63 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 O-C-N 123.57 1.3 . . . . 0.0 110.805 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m 52.38 94.1 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.58 -0.7 . . . . 0.0 111.033 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.6 m -120.91 143.39 48.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.666 -0.646 . . . . 0.0 110.067 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 58.01 167.7 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.582 -0.699 . . . . 0.0 110.923 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -115.73 150.94 36.04 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.604 -0.685 . . . . 0.0 110.179 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.3 m -84.03 143.24 29.89 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.67 -0.644 . . . . 0.0 110.098 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -63.03 -36.79 84.73 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.65 -0.656 . . . . 0.0 110.426 -179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.6 mt -104.1 128.96 51.78 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.744 -0.598 . . . . 0.0 110.105 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -139.03 144.24 38.77 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.671 -0.643 . . . . 0.0 110.192 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.7 t -63.27 -34.92 78.72 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.642 -0.662 . . . . 0.0 110.467 -179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.29 71.97 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.719 -0.613 . . . . 0.0 110.413 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 52.63 -170.44 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.518 -0.739 . . . . 0.0 111.009 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 m -86.55 142.84 28.02 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.746 -0.597 . . . . 0.0 110.18 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -96.59 132.29 42.35 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.704 -0.622 . . . . 0.0 110.228 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -135.13 -62.54 0.71 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.686 -0.634 . . . . 0.0 110.296 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 96.6 p -125.17 151.55 45.66 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.612 -0.68 . . . . 0.0 110.227 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -120.61 34.3 5.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.575 -0.703 . . . . 0.0 110.078 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -63.76 -33.17 75.05 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.619 -0.676 . . . . 0.0 110.569 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -92.83 127.86 38.49 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.653 -0.655 . . . . 0.0 110.258 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -98.47 -53.13 3.42 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.621 -0.674 . . . . 0.0 110.231 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.8 m -117.12 145.85 43.53 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.617 -0.677 . . . . 0.0 110.228 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.1 mmm -66.83 -36.91 83.44 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.761 -0.587 . . . . 0.0 110.381 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.85 132.95 35.0 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.652 -0.655 . . . . 0.0 110.305 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 94.9 m -108.13 -34.44 6.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.666 -0.646 . . . . 0.0 110.263 179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -92.4 172.27 8.5 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.733 -0.604 . . . . 0.0 110.42 -179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -101.63 150.98 22.55 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.7 -0.625 . . . . 0.0 110.135 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -88.51 149.39 23.65 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.649 -0.657 . . . . 0.0 110.171 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -100.58 122.33 43.09 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.775 -0.578 . . . . 0.0 110.306 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -162.57 158.95 24.12 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.726 -0.608 . . . . 0.0 110.177 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -120.16 151.61 38.86 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.679 -0.638 . . . . 0.0 110.211 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.47 72.74 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.713 -0.617 . . . . 0.0 110.343 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.68 146.86 24.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.671 -0.643 . . . . 0.0 110.226 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -101.25 137.06 40.1 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.711 -0.618 . . . . 0.0 110.248 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.3 tp -94.31 137.84 33.0 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.698 -0.626 . . . . 0.0 110.099 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -65.19 139.26 58.64 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.639 -0.663 . . . . 0.0 110.355 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -130.37 158.41 39.92 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.692 -0.63 . . . . 0.0 110.182 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -128.89 162.84 26.58 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.665 -0.647 . . . . 0.0 110.254 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.75 87.17 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -107.54 142.66 37.1 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.588 -0.695 . . . . 0.0 110.26 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -102.99 141.18 36.22 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.742 -0.599 . . . . 0.0 110.177 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -65.56 -37.65 87.29 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.675 -0.64 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.66 158.8 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.997 0 O-C-N 121.664 -0.647 . . . . 0.0 110.146 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -104.03 127.16 51.59 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.628 -0.67 . . . . 0.0 110.141 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.36 -41.84 19.48 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.666 -0.646 . . . . 0.0 110.236 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.1 -37.41 83.86 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.673 -0.642 . . . . 0.0 110.251 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 36.0 t80 56.12 173.12 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.531 -0.731 . . . . 0.0 110.921 -178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -149.7 148.62 29.49 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.451 -0.781 . . . . 0.0 110.513 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -141.21 146.61 37.12 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.7 -0.625 . . . . 0.0 110.203 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -102.48 -39.78 6.97 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.723 -0.611 . . . . 0.0 110.134 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.496 1.862 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.314 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.25 143.25 32.89 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.687 -0.89 . . . . 0.0 110.248 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.9 tpt -157.26 -46.14 0.07 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.628 -0.67 . . . . 0.0 110.324 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -65.87 -34.9 89.94 Favored Glycine 0 N--CA 1.495 2.621 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp -100.85 135.3 42.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.701 -0.882 . . . . 0.0 110.156 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -126.04 150.87 47.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.65 -0.656 . . . . 0.0 110.234 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.74 -32.15 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 O-C-N 121.71 -0.619 . . . . 0.0 109.977 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.47 -30.03 70.34 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.614 -0.679 . . . . 0.0 110.658 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.97 -39.58 94.45 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.582 -0.699 . . . . 0.0 110.409 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -71.72 -31.38 66.67 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.729 -0.607 . . . . 0.0 110.231 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -66.6 124.05 21.76 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.494 -0.754 . . . . 0.0 110.125 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -2.87 75.15 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.418 ' OG ' HD12 ' A' ' 25' ' ' ILE . 71.9 p -87.17 152.98 21.86 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.121 -1.223 . . . . 0.0 110.004 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.482 ' ND2' HG22 ' A' ' 24' ' ' VAL . 5.7 m120 -96.89 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.691 . . . . 0.0 109.895 178.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.746 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.86 161.09 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.766 -0.584 . . . . 0.0 109.685 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -118.65 145.64 45.3 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.493 -0.754 . . . . 0.0 109.415 173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.859 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -134.0 141.91 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.522 -0.736 . . . . 0.0 109.666 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.71 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.4 136.05 37.43 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 119.011 -1.076 . . . . 0.0 109.499 170.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.8 mt -84.22 176.07 9.0 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.856 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.7 -22.04 44.02 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.741 -0.599 . . . . 0.0 111.552 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -100.48 25.96 7.17 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.467 -0.77 . . . . 0.0 111.284 -176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.77 25.91 14.07 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 121.282 -0.886 . . . . 0.0 110.941 172.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.4 p -99.41 132.92 44.41 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.71 ' HG2' HD22 ' A' ' 14' ' ' LEU . 74.6 mttt -109.74 138.21 46.44 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.607 -0.683 . . . . 0.0 110.403 -171.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 146.78 35.92 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.705 -0.622 . . . . 0.0 110.1 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.56 ' O ' HD13 ' A' ' 39' ' ' LEU . 11.5 ptm180 -137.5 149.85 47.11 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.61 -0.681 . . . . 0.0 110.467 -178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.75 -172.05 44.29 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.291 -1.524 . . . . 0.0 109.291 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.482 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.0 t -90.03 140.83 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.576 -0.955 . . . . 0.0 109.606 -178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.746 HD11 HG21 ' A' ' 11' ' ' VAL . 93.5 mt -80.48 139.16 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.614 -0.679 . . . . 0.0 109.967 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.687 HG21 ' HB2' ' A' ' 38' ' ' ARG . 37.4 p -125.14 -36.14 2.56 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.611 -0.681 . . . . 0.0 111.589 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -137.03 146.71 45.57 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.122 -0.987 . . . . 0.0 111.08 -172.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -121.98 121.0 36.06 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.661 -0.649 . . . . 0.0 109.981 -176.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.0 m -69.95 -32.24 70.39 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.737 -0.602 . . . . 0.0 110.7 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.6 m -62.35 -44.63 96.03 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.525 -0.735 . . . . 0.0 110.846 -175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 11.11 8.89 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.526 -0.734 . . . . 0.0 111.346 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.3 p 46.7 66.71 0.92 Allowed 'General case' 0 N--CA 1.508 2.437 0 O-C-N 121.546 -0.722 . . . . 0.0 111.558 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.013 HD12 HG22 ' A' ' 48' ' ' VAL . 45.2 mm -115.02 133.3 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.46 -0.775 . . . . 0.0 109.713 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -124.88 124.87 42.99 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.747 -0.596 . . . . 0.0 110.275 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -102.39 129.39 48.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.789 -0.569 . . . . 0.0 109.798 174.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 25' ' ' ILE . 60.1 mt -110.94 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.75 -0.594 . . . . 0.0 109.997 178.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.687 ' HB2' HG21 ' A' ' 26' ' ' THR . 41.9 ttm180 -96.74 125.16 41.0 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 120.307 -0.557 . . . . 0.0 109.828 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.56 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.0 tp -102.06 148.81 24.93 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.6 -0.687 . . . . 0.0 110.851 -174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.71 -9.63 15.21 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.895 -0.503 . . . . 0.0 111.767 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.63 31.08 0.61 Allowed 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.087 -1.008 . . . . 0.0 111.005 175.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.11 29.42 17.82 Favored 'General case' 0 N--CA 1.506 2.36 0 O-C-N 121.123 -0.986 . . . . 0.0 110.436 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -121.28 140.48 52.02 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.441 -0.787 . . . . 0.0 110.066 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -129.62 144.96 51.51 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.72 -0.613 . . . . 0.0 110.23 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -144.01 142.11 30.5 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.708 -0.62 . . . . 0.0 110.499 -178.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.8 p -107.68 120.87 43.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.746 -0.596 . . . . 0.0 109.886 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.36 129.98 67.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.599 -0.688 . . . . 0.0 109.428 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.013 HG22 HD12 ' A' ' 34' ' ' ILE . 36.8 t -71.67 137.44 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 C-N-CA 120.043 -0.663 . . . . 0.0 109.281 179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -62.18 -24.46 67.21 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.6 -0.687 . . . . 0.0 111.423 -172.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -57.6 -25.53 60.2 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.252 -0.905 . . . . 0.0 110.891 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.44 9.61 20.24 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.511 -0.743 . . . . 0.0 111.31 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.859 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.01 112.94 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 O-C-N 121.185 -0.947 . . . . 0.0 109.786 174.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -81.83 -39.01 24.62 Favored 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 120.017 -0.673 . . . . 0.0 110.157 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.5 m-20 -153.1 146.28 24.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.6 -0.688 . . . . 0.0 110.961 -174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD11 HG21 ' A' ' 52' ' ' ILE . 15.3 mt -127.17 144.2 51.09 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.612 -0.68 . . . . 0.0 110.834 -176.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -149.01 159.08 44.54 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.649 -0.657 . . . . 0.0 110.057 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.55 HG12 HG12 ' A' ' 11' ' ' VAL . 82.3 mt -111.58 129.95 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.599 -0.688 . . . . 0.0 109.282 174.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.7 mt -77.35 151.66 81.0 Favored Pre-proline 0 N--CA 1.499 2.013 0 O-C-N 121.627 -0.67 . . . . 0.0 110.336 -173.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -73.03 -9.0 23.07 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 O-C-N 123.64 1.337 . . . . 0.0 111.57 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 68.0 mttt 53.02 -170.5 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.187 -0.946 . . . . 0.0 110.833 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -74.03 149.01 41.46 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.682 -0.636 . . . . 0.0 110.181 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -92.67 139.36 30.64 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.63 -0.669 . . . . 0.0 110.169 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.4 mt -69.83 -34.06 58.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.068 0 O-C-N 121.712 -0.617 . . . . 0.0 109.817 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 16.5 ptm -66.31 154.87 89.52 Favored Pre-proline 0 N--CA 1.501 2.089 0 O-C-N 121.648 -0.657 . . . . 0.0 110.468 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -67.8 160.23 49.25 Favored 'Trans proline' 0 N--CA 1.488 1.167 0 O-C-N 123.597 1.314 . . . . 0.0 110.34 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -88.65 169.3 11.8 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.622 -0.674 . . . . 0.0 110.187 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 t30 54.84 40.98 32.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.629 -0.669 . . . . 0.0 110.836 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -149.17 34.09 1.11 Allowed Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -126.87 135.49 51.03 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.592 -0.946 . . . . 0.0 110.145 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 38.9 tttp -65.92 -39.05 90.2 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.703 -0.623 . . . . 0.0 110.282 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m 59.79 159.43 0.1 Allowed Pre-proline 0 N--CA 1.508 2.429 0 O-C-N 121.783 -0.573 . . . . 0.0 110.957 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -67.67 146.38 73.0 Favored 'Trans proline' 0 N--CA 1.487 1.145 0 O-C-N 123.506 1.266 . . . . 0.0 110.373 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.6 p -102.09 89.91 3.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.712 -0.617 . . . . 0.0 110.186 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.9 t -141.19 158.53 43.78 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.557 -0.715 . . . . 0.0 110.367 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -106.64 128.22 53.99 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.651 -0.655 . . . . 0.0 110.096 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -131.9 152.93 50.73 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.665 -0.647 . . . . 0.0 110.216 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 41.7 p -78.39 -31.82 48.54 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.763 -0.586 . . . . 0.0 110.372 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -63.86 -36.54 84.25 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.673 -0.642 . . . . 0.0 110.493 -179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.89 121.81 44.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.74 -0.6 . . . . 0.0 110.097 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.544 ' HE3' ' HB3' ' A' ' 82' ' ' ALA . 57.0 pttt -142.15 164.97 28.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.711 -0.618 . . . . 0.0 110.403 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.7 m -64.3 -28.33 69.64 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.795 -0.565 . . . . 0.0 110.889 -178.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.544 ' HB3' ' HE3' ' A' ' 80' ' ' LYS . . . -62.96 -33.75 76.03 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.454 -0.779 . . . . 0.0 110.636 -177.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.67 145.12 52.63 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.646 -0.659 . . . . 0.0 110.159 179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 86' ' ' SER . 22.7 m -91.99 131.45 37.28 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.711 -0.618 . . . . 0.0 110.148 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -67.65 -38.79 84.32 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.652 -0.655 . . . . 0.0 110.41 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 84' ' ' THR . 49.4 m -119.05 152.93 35.55 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.66 -0.65 . . . . 0.0 110.325 -179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.1 t -70.16 149.2 47.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.691 -0.63 . . . . 0.0 110.21 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -64.4 -41.1 96.83 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.656 -0.652 . . . . 0.0 110.411 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -133.1 153.37 51.58 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.713 -0.617 . . . . 0.0 110.189 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -98.6 136.47 38.64 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.687 -0.633 . . . . 0.0 110.046 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -67.43 -47.08 71.26 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.708 -0.62 . . . . 0.0 110.363 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.3 p -155.8 164.19 38.86 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.67 -0.644 . . . . 0.0 110.284 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 90.3 mtp -125.97 143.46 51.09 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.679 -0.638 . . . . 0.0 110.118 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -97.96 132.9 43.12 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.675 -0.64 . . . . 0.0 110.158 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.1 t -138.04 121.76 17.51 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.703 -0.623 . . . . 0.0 110.17 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -143.35 -63.06 0.4 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.631 -0.668 . . . . 0.0 110.273 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -107.86 149.61 28.06 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.664 -0.647 . . . . 0.0 110.118 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 55.41 99.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.668 -0.645 . . . . 0.0 110.864 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -98.83 130.55 45.26 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.648 -0.658 . . . . 0.0 110.23 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -96.57 151.57 19.46 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.71 -0.619 . . . . 0.0 110.155 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -102.38 130.52 49.15 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.579 -0.701 . . . . 0.0 110.215 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.51 155.15 40.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.724 -0.61 . . . . 0.0 110.167 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -100.14 136.92 39.3 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.641 -0.662 . . . . 0.0 110.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -128.85 125.67 38.17 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.79 -0.569 . . . . 0.0 110.453 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.0 mt -102.97 133.65 47.72 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -122.8 142.98 50.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.675 -0.641 . . . . 0.0 110.209 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -160.07 -61.37 0.06 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.673 -0.642 . . . . 0.0 110.149 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -87.68 -31.95 19.47 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.652 -0.655 . . . . 0.0 110.457 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -89.13 116.51 27.45 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.651 -0.655 . . . . 0.0 110.141 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -124.21 145.29 49.44 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.761 -0.587 . . . . 0.0 110.191 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -96.75 141.37 30.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.696 -0.628 . . . . 0.0 110.138 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -101.2 114.85 29.19 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.755 -0.59 . . . . 0.0 110.159 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.21 145.72 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.618 -0.676 . . . . 0.0 110.272 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.51 -36.66 71.15 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.682 -0.636 . . . . 0.0 110.198 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -107.28 153.13 23.17 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.63 -0.668 . . . . 0.0 110.255 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -96.98 146.03 25.36 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.68 -0.637 . . . . 0.0 110.148 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -128.64 166.65 18.49 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.738 -0.601 . . . . 0.0 110.281 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -111.95 146.16 38.31 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.705 -0.622 . . . . 0.0 110.21 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -67.4 -33.11 74.51 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.741 -0.599 . . . . 0.0 110.314 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 53.22 39.72 30.14 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.575 -0.703 . . . . 0.0 110.896 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.184 179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.82 145.52 29.98 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.689 -0.889 . . . . 0.0 110.184 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.0 mmm -118.47 149.87 40.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.703 -0.623 . . . . 0.0 110.191 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 83.44 -164.81 42.09 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mmm -116.44 152.6 33.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.645 -0.915 . . . . 0.0 110.106 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -121.79 147.71 45.6 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.721 -0.612 . . . . 0.0 110.305 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.8 t -68.0 -31.75 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.696 -0.627 . . . . 0.0 109.935 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -30.01 70.44 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.596 -0.69 . . . . 0.0 110.74 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.07 -39.95 95.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.694 -0.629 . . . . 0.0 110.362 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -73.61 -33.29 64.51 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.726 -0.608 . . . . 0.0 110.169 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.11 144.82 51.96 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.723 -0.611 . . . . 0.0 109.763 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 24' ' ' VAL . . . 79.91 6.41 89.12 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -176.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -87.11 156.07 19.87 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.185 -1.186 . . . . 0.0 110.158 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -96.96 114.83 26.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.707 -0.621 . . . . 0.0 110.129 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -128.27 163.23 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -118.68 146.04 45.02 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.541 -0.724 . . . . 0.0 109.247 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -133.57 142.71 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.607 -0.683 . . . . 0.0 109.648 178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.64 136.04 37.73 Favored 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.43 169.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.4 mt -82.84 176.98 8.88 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 119.929 -0.708 . . . . 0.0 109.984 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.54 -21.89 41.1 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.723 -0.611 . . . . 0.0 111.516 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -102.63 27.41 6.94 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.406 -0.809 . . . . 0.0 111.16 -176.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.7 26.06 14.14 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.149 -0.97 . . . . 0.0 110.902 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.6 p -97.69 134.94 40.2 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 169.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.742 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.4 mtmm -109.7 138.34 46.22 Favored 'General case' 0 N--CA 1.495 1.808 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.436 -171.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.02 145.76 34.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.768 -0.583 . . . . 0.0 110.083 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.6 ptt180 -138.03 148.14 44.82 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.603 -0.686 . . . . 0.0 110.67 -177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.77 -173.65 45.91 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 109.201 -1.559 . . . . 0.0 109.201 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -91.83 139.57 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.564 -0.962 . . . . 0.0 109.766 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 89.6 mt -81.9 135.19 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.632 -0.667 . . . . 0.0 109.944 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.0 p -125.23 -36.2 2.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.616 -0.678 . . . . 0.0 111.845 -176.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.543 ' O ' HD12 ' A' ' 35' ' ' LEU . 25.5 t30 -140.98 155.12 46.28 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.944 -1.098 . . . . 0.0 111.247 -171.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -149.14 140.54 23.27 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.915 -0.491 . . . . 0.0 109.695 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -122.08 121.39 36.85 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.742 -0.599 . . . . 0.0 109.81 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -73.23 -29.88 63.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.755 -0.591 . . . . 0.0 110.698 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -64.73 -43.59 92.88 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.583 -0.698 . . . . 0.0 110.787 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -124.06 6.94 8.57 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.515 -0.74 . . . . 0.0 111.471 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m 51.38 67.01 1.02 Allowed 'General case' 0 N--CA 1.507 2.421 0 O-C-N 121.209 -0.932 . . . . 0.0 111.07 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.036 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -120.86 131.95 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.475 -0.766 . . . . 0.0 109.732 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 25' ' ' ILE . 8.8 tp -118.84 129.25 55.12 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.668 -0.645 . . . . 0.0 110.163 -175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -96.97 129.57 44.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.713 -0.617 . . . . 0.0 109.696 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.8 mt -110.87 119.98 40.87 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.821 -0.549 . . . . 0.0 109.943 178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.1 ttt180 -95.64 123.91 39.42 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.805 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 22' ' ' ARG . 21.5 tp -102.03 151.74 21.79 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.718 -0.614 . . . . 0.0 110.83 -174.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.43 -5.98 12.94 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.89 -0.506 . . . . 0.0 111.92 -173.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -86.81 28.14 0.92 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.119 -0.988 . . . . 0.0 110.924 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 t70 60.95 27.63 17.48 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.978 -1.076 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 m -121.15 143.99 48.81 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.411 -0.806 . . . . 0.0 110.171 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -126.67 144.6 50.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.721 -0.612 . . . . 0.0 110.061 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.0 tttt -143.98 140.66 29.75 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.693 -0.63 . . . . 0.0 110.361 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.2 p -101.21 123.2 44.96 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.739 -0.601 . . . . 0.0 110.031 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.25 130.92 67.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 109.356 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.036 HG22 HD12 ' A' ' 34' ' ' ILE . 26.8 t -73.31 138.42 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.646 -0.659 . . . . 0.0 109.403 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.1 p -73.96 -24.85 59.68 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.613 -0.679 . . . . 0.0 111.357 -173.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -61.15 -25.12 66.78 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.21 -0.931 . . . . 0.0 110.833 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -88.51 11.39 17.26 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.384 -0.823 . . . . 0.0 111.268 176.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.8 mt -72.39 112.94 8.86 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 121.199 -0.938 . . . . 0.0 109.761 173.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -80.56 -39.77 27.08 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.169 171.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.544 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.7 m-20 -153.12 145.83 24.31 Favored 'General case' 0 N--CA 1.504 2.226 0 C-N-CA 119.961 -0.695 . . . . 0.0 110.907 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.611 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -126.97 144.26 51.06 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.709 -0.619 . . . . 0.0 110.983 -176.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.7 ptp180 -149.08 159.06 44.57 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.77 -0.581 . . . . 0.0 110.022 172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.562 HG12 HG12 ' A' ' 11' ' ' VAL . 79.9 mt -110.3 129.99 64.35 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.595 -0.691 . . . . 0.0 109.339 175.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 22' ' ' ARG . 45.3 mt -75.03 161.02 79.18 Favored Pre-proline 0 N--CA 1.499 1.999 0 O-C-N 121.659 -0.651 . . . . 0.0 110.164 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -60.63 139.56 86.45 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 O-C-N 123.599 1.315 . . . . 0.0 110.857 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -150.95 -60.02 0.18 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.799 -0.563 . . . . 0.0 110.057 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -112.79 159.3 19.13 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.722 -0.611 . . . . 0.0 110.095 179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -94.47 126.9 40.04 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.648 -0.658 . . . . 0.0 110.148 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 tt -131.09 137.2 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.664 -0.648 . . . . 0.0 110.138 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -73.66 152.94 89.5 Favored Pre-proline 0 N--CA 1.499 2.0 0 O-C-N 121.721 -0.612 . . . . 0.0 110.379 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -68.15 135.07 33.42 Favored 'Trans proline' 0 N--CA 1.488 1.17 0 O-C-N 123.595 1.313 . . . . 0.0 110.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -99.6 -63.43 1.13 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.701 -0.624 . . . . 0.0 110.249 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -88.18 -33.16 18.26 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.657 -0.652 . . . . 0.0 110.342 -178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.56 65.6 1.45 Allowed Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.454 -1.458 . . . . 0.0 109.454 -178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.1 m -65.42 -35.78 81.96 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.61 -0.935 . . . . 0.0 110.407 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 tptt -64.2 -41.57 97.02 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.711 -0.618 . . . . 0.0 110.494 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.7 m -149.25 154.19 38.6 Favored Pre-proline 0 N--CA 1.494 1.768 0 O-C-N 121.645 -0.66 . . . . 0.0 110.273 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -66.75 -33.24 35.29 Favored 'Trans proline' 0 N--CA 1.489 1.238 0 O-C-N 123.568 1.299 . . . . 0.0 110.49 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.2 m -123.52 148.94 45.79 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.621 -0.674 . . . . 0.0 110.24 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 74' ' ' THR . 4.8 t -135.57 92.12 2.8 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.644 -0.66 . . . . 0.0 110.358 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -101.77 33.02 3.15 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.587 -0.696 . . . . 0.0 110.325 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.4 t -91.01 160.08 15.8 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.647 -0.658 . . . . 0.0 110.093 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 23.6 m -68.8 131.52 45.27 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.659 -0.65 . . . . 0.0 110.094 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.462 ' HB3' HD12 ' A' ' 79' ' ' LEU . 22.2 tptp -65.76 -42.37 90.97 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.652 -0.655 . . . . 0.0 110.311 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 mp -106.55 136.11 46.89 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.662 -0.648 . . . . 0.0 110.244 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -113.24 130.83 56.12 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.712 -0.618 . . . . 0.0 110.194 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.0 p -68.12 -32.1 72.15 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.704 -0.622 . . . . 0.0 110.303 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.71 -33.68 75.38 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.683 -0.636 . . . . 0.0 110.398 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 51.9 93.77 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.284 0 O-C-N 121.58 -0.7 . . . . 0.0 111.065 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 m -66.84 -37.72 85.01 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.703 -0.623 . . . . 0.0 110.344 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.1 t80 -116.54 133.49 55.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.659 -0.65 . . . . 0.0 110.317 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.9 m -122.57 148.62 45.0 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.704 -0.623 . . . . 0.0 110.164 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.3 t -117.79 141.27 48.61 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.699 -0.625 . . . . 0.0 110.198 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 41.3 tttp 52.96 84.67 0.05 Allowed 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.562 -0.711 . . . . 0.0 110.971 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -91.37 -65.24 1.03 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.611 -0.681 . . . . 0.0 110.085 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -118.66 147.56 43.65 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.657 -0.652 . . . . 0.0 110.154 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -100.01 32.23 3.01 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.727 -0.608 . . . . 0.0 110.445 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.4 m -122.3 149.92 43.07 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.614 -0.679 . . . . 0.0 110.167 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 49.1 ttm -93.26 116.56 29.13 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.698 -0.626 . . . . 0.0 110.136 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.43 155.86 18.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.683 -0.636 . . . . 0.0 110.176 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 t -107.61 127.55 53.75 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.711 -0.618 . . . . 0.0 110.166 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -88.29 118.95 28.25 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.696 -0.628 . . . . 0.0 110.111 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -105.84 143.78 33.51 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.717 -0.614 . . . . 0.0 110.225 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 59.05 155.86 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.797 -0.564 . . . . 0.0 111.067 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -91.29 -39.47 12.04 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.593 -0.692 . . . . 0.0 110.211 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.05 134.71 33.47 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.632 -0.667 . . . . 0.0 110.236 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -122.19 161.31 23.43 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.753 -0.592 . . . . 0.0 110.176 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.23 143.99 31.32 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.642 -0.661 . . . . 0.0 110.361 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -147.01 153.92 40.6 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.781 -0.575 . . . . 0.0 110.145 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -114.98 29.62 7.91 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.626 -0.671 . . . . 0.0 110.585 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.09 138.3 44.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.61 -0.681 . . . . 0.0 110.163 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -156.6 -61.03 0.1 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.652 -0.655 . . . . 0.0 110.183 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.9 mttp 52.7 33.91 14.93 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.577 -0.702 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -108.27 137.33 46.42 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.693 -0.63 . . . . 0.0 110.22 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -84.27 115.0 22.24 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.635 -0.666 . . . . 0.0 110.002 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -102.29 137.83 40.02 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.713 -0.617 . . . . 0.0 110.281 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.488 ' HB3' HG13 ' A' ' 113' ' ' VAL . 79.2 mttt -65.7 -32.34 73.84 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.658 -0.651 . . . . 0.0 110.354 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 52.98 33.82 15.57 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.544 -0.722 . . . . 0.0 110.951 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 114' ' ' PHE . 35.7 m -80.59 -26.9 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 121.66 -0.65 . . . . 0.0 110.66 178.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.56 ' CD2' HG23 ' A' ' 113' ' ' VAL . 35.2 m-85 -126.11 153.2 44.87 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.438 -0.788 . . . . 0.0 110.212 178.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -110.18 98.19 7.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.686 -0.634 . . . . 0.0 110.17 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -118.04 143.46 46.4 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.625 -0.672 . . . . 0.0 110.256 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -124.76 158.48 33.2 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.756 -0.59 . . . . 0.0 110.174 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -114.09 127.79 56.08 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.634 -0.666 . . . . 0.0 110.203 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -69.23 -33.97 74.12 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.756 -0.59 . . . . 0.0 110.194 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -121.63 135.98 54.96 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.714 -0.616 . . . . 0.0 110.249 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 N--CA 1.495 1.824 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.131 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.41 -33.78 75.88 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.699 -0.883 . . . . 0.0 110.284 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -65.19 -35.75 82.05 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.622 -0.674 . . . . 0.0 110.378 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.82 -66.49 2.43 Favored Glycine 0 N--CA 1.494 2.536 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -114.27 154.56 27.75 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.685 -0.891 . . . . 0.0 110.179 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 m -122.25 151.9 40.59 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.711 -0.618 . . . . 0.0 110.251 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.55 -31.48 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 O-C-N 121.653 -0.655 . . . . 0.0 110.025 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.57 69.9 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.658 -0.651 . . . . 0.0 110.705 -178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.71 -38.7 92.11 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.581 -0.699 . . . . 0.0 110.467 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -70.52 -34.01 71.82 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.653 -0.655 . . . . 0.0 110.092 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.55 134.75 51.84 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.728 -0.608 . . . . 0.0 109.914 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.0 5.08 89.72 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 t -87.31 144.15 26.92 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.196 -1.179 . . . . 0.0 110.089 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -91.62 114.79 27.41 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.527 -0.733 . . . . 0.0 109.93 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG12 HG12 ' A' ' 57' ' ' ILE . 27.2 m -131.2 161.31 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 179.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -118.65 146.12 44.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.59 -0.694 . . . . 0.0 109.56 174.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.873 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.9 p -132.91 143.45 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 109.74 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.744 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -96.83 136.14 37.8 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.294 168.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.1 mt -83.36 178.42 8.06 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.989 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -57.35 -22.43 42.34 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 121.776 -0.577 . . . . 0.0 111.563 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -100.27 24.66 8.46 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.522 -0.736 . . . . 0.0 111.196 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.86 25.8 12.48 Favored 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.29 -0.882 . . . . 0.0 110.683 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -96.19 133.06 40.96 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.744 ' HG2' HD22 ' A' ' 14' ' ' LEU . 22.3 mtmm -109.68 135.88 49.91 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.545 -0.722 . . . . 0.0 110.477 -170.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.07 151.95 42.86 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.854 -0.529 . . . . 0.0 109.944 175.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -136.08 158.38 44.55 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.468 -0.77 . . . . 0.0 110.165 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.437 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.61 -177.43 48.44 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.3 t -96.96 127.84 48.75 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.705 -0.88 . . . . 0.0 109.487 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 35' ' ' LEU . 82.1 mt -66.22 137.31 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.684 -0.635 . . . . 0.0 110.256 -175.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.9 p -125.07 -35.97 2.59 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.776 -0.578 . . . . 0.0 111.433 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -139.75 151.32 45.72 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.111 -0.993 . . . . 0.0 110.982 -173.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -149.14 135.44 19.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.932 -0.48 . . . . 0.0 109.734 174.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -122.03 118.84 29.75 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.789 -0.57 . . . . 0.0 110.034 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.5 m -67.68 -30.18 69.65 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.796 -0.565 . . . . 0.0 110.719 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.9 m -61.13 -49.87 75.5 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 121.541 -0.724 . . . . 0.0 110.83 -175.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.642 ' ND2' HD11 ' A' ' 34' ' ' ILE . 61.1 t30 -124.06 15.82 9.21 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.553 -0.717 . . . . 0.0 111.258 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 p 46.65 67.0 0.84 Allowed 'General case' 0 N--CA 1.507 2.396 0 O-C-N 121.653 -0.655 . . . . 0.0 111.663 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.007 HD12 HG22 ' A' ' 48' ' ' VAL . 44.3 mm -115.01 130.27 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.529 -0.732 . . . . 0.0 109.597 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 HD11 HG23 ' A' ' 25' ' ' ILE . 9.7 tp -121.74 125.64 47.05 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.804 -0.56 . . . . 0.0 110.337 -174.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -96.98 127.37 42.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.799 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 25' ' ' ILE . 55.4 mt -110.94 119.97 40.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.785 -0.572 . . . . 0.0 109.935 178.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.673 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.1 ttt-85 -101.3 120.67 40.6 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.682 -0.636 . . . . 0.0 109.94 178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 HD13 ' HA2' ' A' ' 23' ' ' GLY . 62.1 tp -102.07 154.58 18.86 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.73 -0.606 . . . . 0.0 110.568 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.65 -0.31 6.67 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.867 -0.521 . . . . 0.0 112.148 -171.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -88.05 26.64 1.33 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.975 -1.078 . . . . 0.0 110.741 173.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t0 61.52 27.79 17.22 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 121.091 -1.006 . . . . 0.0 110.465 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.1 m -121.94 140.1 52.85 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.474 -0.766 . . . . 0.0 110.16 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.2 144.66 51.29 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.777 -0.577 . . . . 0.0 110.034 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HD3' HD11 ' A' ' 47' ' ' ILE . 54.1 tttm -143.84 136.44 27.09 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.674 -0.641 . . . . 0.0 110.399 -177.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.8 p -96.74 120.55 37.27 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.676 -0.64 . . . . 0.0 109.892 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.427 HD11 ' HD3' ' A' ' 45' ' ' LYS . 82.1 mt -127.88 129.93 69.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.461 -178.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.007 HG22 HD12 ' A' ' 34' ' ' ILE . 30.2 t -72.3 135.76 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 121.649 -0.657 . . . . 0.0 109.243 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 52' ' ' ILE . 70.6 p -65.35 -24.64 67.3 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.552 -0.718 . . . . 0.0 111.294 -172.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -58.58 -26.11 63.27 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.235 -0.916 . . . . 0.0 110.89 -175.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -88.5 12.32 14.74 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.769 . . . . 0.0 111.307 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.873 HG23 ' CG2' ' A' ' 13' ' ' VAL . 90.2 mt -77.86 112.89 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.133 0 O-C-N 121.149 -0.969 . . . . 0.0 109.68 172.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -84.99 -35.56 21.89 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 119.983 -0.687 . . . . 0.0 110.525 172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.566 ' O ' HG23 ' A' ' 13' ' ' VAL . 7.9 m-20 -152.48 146.72 25.5 Favored 'General case' 0 N--CA 1.504 2.246 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.933 -176.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.661 HD11 HG21 ' A' ' 52' ' ' ILE . 15.1 mt -128.42 144.25 51.11 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.863 -177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -147.42 159.05 44.15 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.76 -0.588 . . . . 0.0 109.888 171.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.521 HG12 HG12 ' A' ' 11' ' ' VAL . 72.1 mt -113.18 129.99 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 121.601 -0.687 . . . . 0.0 109.32 176.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.57 139.95 35.82 Favored Pre-proline 0 N--CA 1.497 1.899 0 O-C-N 121.568 -0.708 . . . . 0.0 110.025 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.09 -34.75 16.09 Favored 'Trans proline' 0 N--CA 1.488 1.189 0 O-C-N 123.488 1.257 . . . . 0.0 110.323 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 72.1 tttt 52.86 31.43 10.68 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.603 -0.686 . . . . 0.0 110.858 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -122.78 118.22 27.5 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.578 -0.701 . . . . 0.0 110.293 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -161.36 33.34 0.14 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.65 -0.657 . . . . 0.0 110.327 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.4 -37.15 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.051 0 O-C-N 121.675 -0.64 . . . . 0.0 109.807 -179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.2 mtt -114.41 155.97 45.12 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.648 -0.658 . . . . 0.0 110.361 -179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.14 164.74 32.78 Favored 'Trans proline' 0 N--CA 1.487 1.111 0 O-C-N 123.697 1.367 . . . . 0.0 110.344 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 53.22 94.33 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.594 -0.691 . . . . 0.0 111.047 179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -98.14 124.78 42.85 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.683 -0.636 . . . . 0.0 110.171 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.37 -47.64 0.09 OUTLIER Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -112.48 140.97 46.77 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.748 -0.854 . . . . 0.0 110.159 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.06 -37.7 88.4 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.707 -0.621 . . . . 0.0 110.453 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -158.32 91.15 2.15 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.728 -0.608 . . . . 0.0 110.224 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -63.4 95.12 0.17 Allowed 'Trans proline' 0 N--CA 1.49 1.267 0 O-C-N 123.499 1.263 . . . . 0.0 110.508 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 48.2 m -126.72 152.02 47.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.704 -0.622 . . . . 0.0 110.281 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.0 p -104.03 161.28 14.13 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.658 -0.651 . . . . 0.0 110.11 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -100.29 30.05 4.04 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.693 -0.629 . . . . 0.0 110.511 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -133.45 33.37 3.56 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.552 -0.717 . . . . 0.0 110.298 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.8 m -122.42 139.66 53.6 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.659 -0.651 . . . . 0.0 110.137 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -93.39 135.71 34.36 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.71 -0.619 . . . . 0.0 110.111 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 79' ' ' LEU . 4.6 mm? -93.87 101.19 13.27 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.723 -0.611 . . . . 0.0 110.109 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -65.36 -33.9 77.05 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.727 -0.608 . . . . 0.0 110.322 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.4 m -63.91 -34.5 78.09 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.665 -0.647 . . . . 0.0 110.458 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -34.14 76.41 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.75 -0.594 . . . . 0.0 110.322 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -66.83 -33.57 75.89 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.674 -0.641 . . . . 0.0 110.353 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.9 m -90.61 134.23 34.54 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.663 -0.648 . . . . 0.0 110.222 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -70.16 -32.19 70.04 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.718 -0.614 . . . . 0.0 110.525 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 49.6 m -66.1 154.47 39.53 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.589 -0.694 . . . . 0.0 110.418 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 35.0 t -132.46 146.28 51.82 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.256 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -90.14 -70.11 0.69 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.632 -0.668 . . . . 0.0 110.281 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -134.12 28.92 3.76 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.632 -0.668 . . . . 0.0 110.564 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -103.36 -40.37 6.41 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.548 -0.72 . . . . 0.0 110.135 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -114.66 157.91 22.48 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.268 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.0 m -98.03 152.13 19.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.677 -0.639 . . . . 0.0 110.189 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.3 mmm -64.58 -35.04 79.69 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.684 -0.635 . . . . 0.0 110.441 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -87.74 132.97 33.95 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.715 -0.615 . . . . 0.0 110.168 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.7 t -159.66 -60.32 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.616 -0.678 . . . . 0.0 110.194 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -142.05 -54.22 0.44 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.714 -0.617 . . . . 0.0 110.206 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -107.93 146.41 32.44 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.642 -0.661 . . . . 0.0 110.116 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -94.82 141.52 28.53 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.644 -0.66 . . . . 0.0 110.097 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -99.87 152.77 19.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.686 -0.634 . . . . 0.0 110.07 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -61.04 -35.65 77.48 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 121.602 -0.686 . . . . 0.0 110.673 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -100.7 128.48 46.73 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.644 -0.66 . . . . 0.0 110.13 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.69 -34.47 6.04 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.649 -0.657 . . . . 0.0 110.228 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 52.2 29.04 6.09 Favored 'General case' 0 N--CA 1.506 2.342 0 O-C-N 121.609 -0.682 . . . . 0.0 111.103 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -115.31 153.62 30.63 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.691 -0.631 . . . . 0.0 110.066 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -65.26 -39.48 92.69 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.689 -0.632 . . . . 0.0 110.241 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 51.99 -173.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.539 -0.726 . . . . 0.0 111.101 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -123.61 129.76 51.64 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.657 -0.652 . . . . 0.0 110.19 179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.63 154.89 38.69 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.566 -0.708 . . . . 0.0 110.217 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -96.31 157.84 15.71 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.666 -0.646 . . . . 0.0 110.152 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 113' ' ' VAL . 51.3 mttp -84.34 146.83 27.51 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.735 -0.603 . . . . 0.0 110.14 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -86.62 -31.49 21.1 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.713 -0.617 . . . . 0.0 110.44 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -62.5 -32.5 73.43 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.627 -0.671 . . . . 0.0 110.886 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 110' ' ' LYS . 34.3 m -65.59 -32.3 57.6 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.187 0 O-C-N 121.638 -0.664 . . . . 0.0 110.673 -177.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -68.4 -41.89 79.82 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.589 -0.695 . . . . 0.0 110.387 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -103.36 129.63 50.47 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.588 -0.695 . . . . 0.0 110.322 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -67.15 -32.4 73.48 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.681 -0.637 . . . . 0.0 110.428 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -101.92 135.58 43.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.639 -0.663 . . . . 0.0 110.261 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -98.05 132.35 43.67 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.646 -0.659 . . . . 0.0 110.23 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -114.0 135.78 53.62 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.662 -0.649 . . . . 0.0 110.08 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -65.18 -39.17 92.52 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.606 -0.684 . . . . 0.0 110.332 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 N--CA 1.507 2.378 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.943 179.942 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 52.81 -175.85 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.578 -0.954 . . . . 0.0 111.123 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.1 mtt -106.65 32.14 4.75 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.703 -0.623 . . . . 0.0 110.359 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -65.64 -36.02 91.86 Favored Glycine 0 N--CA 1.497 2.702 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm -108.9 142.18 39.9 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.747 -0.854 . . . . 0.0 110.137 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 m -118.17 145.55 44.86 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.655 -0.653 . . . . 0.0 110.363 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 HG12 ' CD1' ' A' ' 7' ' ' TYR . 59.3 t -67.98 -29.08 43.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.783 -0.573 . . . . 0.0 110.127 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.72 69.71 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.502 -0.749 . . . . 0.0 110.739 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.19 -39.85 94.86 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.631 -0.668 . . . . 0.0 110.32 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -83.44 -31.36 26.64 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.708 -0.62 . . . . 0.0 110.334 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' CD1' HG12 ' A' ' 3' ' ' VAL . 2.1 m-85 -66.33 134.29 52.28 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.652 -0.655 . . . . 0.0 110.132 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.7 3.98 90.47 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -87.12 144.72 26.74 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.211 -1.17 . . . . 0.0 110.148 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -94.02 114.92 27.19 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 25' ' ' ILE . 32.4 m -131.09 162.62 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.864 -0.523 . . . . 0.0 109.673 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -118.5 141.6 48.4 Favored 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 119.481 -0.888 . . . . 0.0 109.679 166.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.831 ' CG2' HG23 ' A' ' 52' ' ' ILE . 7.5 p -129.63 133.67 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.707 -0.621 . . . . 0.0 109.518 176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.699 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -89.74 136.01 33.29 Favored 'General case' 0 N--CA 1.494 1.738 0 C-N-CA 119.067 -1.053 . . . . 0.0 109.673 174.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -84.16 176.14 8.98 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.789 -0.764 . . . . 0.0 110.04 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -58.05 -22.2 49.01 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.731 -0.606 . . . . 0.0 111.52 -176.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -99.99 25.58 7.24 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.464 -0.772 . . . . 0.0 111.277 -175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.88 25.84 14.14 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.197 -0.939 . . . . 0.0 110.9 172.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -100.11 132.91 45.19 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 168.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.699 ' HG2' HD22 ' A' ' 14' ' ' LEU . 75.7 mttt -109.96 139.78 44.68 Favored 'General case' 0 N--CA 1.496 1.838 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.364 -171.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.95 144.7 33.86 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.748 -0.595 . . . . 0.0 110.042 176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.562 ' O ' HD13 ' A' ' 39' ' ' LEU . 15.4 ptp180 -131.62 150.29 52.2 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.583 -0.698 . . . . 0.0 110.273 -178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.87 -171.93 44.12 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.17 130.45 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.675 -0.897 . . . . 0.0 109.705 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 11' ' ' VAL . 85.4 mt -73.01 140.37 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 121.538 -0.727 . . . . 0.0 110.014 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.721 HG21 ' HG3' ' A' ' 38' ' ' ARG . 37.0 p -125.18 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.652 -0.655 . . . . 0.0 111.549 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -137.28 147.42 45.66 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.137 -0.977 . . . . 0.0 111.074 -172.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -149.1 127.68 12.38 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -122.13 127.01 49.59 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.65 -0.656 . . . . 0.0 109.879 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.1 m -75.16 -32.24 61.23 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.791 -0.568 . . . . 0.0 110.748 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 82.5 p -63.69 -37.39 87.17 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.527 -0.733 . . . . 0.0 110.755 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -124.09 -0.0 8.42 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.645 -0.659 . . . . 0.0 111.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m 50.92 66.88 1.04 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.165 -0.959 . . . . 0.0 110.877 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.8 mm -120.37 137.47 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.623 -0.673 . . . . 0.0 109.775 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.434 HD11 HG23 ' A' ' 25' ' ' ILE . 10.5 tp -124.35 125.77 44.88 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.68 -0.637 . . . . 0.0 110.273 -176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -101.57 128.85 47.65 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.788 -0.57 . . . . 0.0 109.892 174.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.98 119.97 40.82 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.914 -0.491 . . . . 0.0 110.06 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.721 ' HG3' HG21 ' A' ' 26' ' ' THR . 58.0 mtt-85 -96.35 125.42 40.84 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.604 -0.685 . . . . 0.0 109.92 175.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.7 tp -102.11 148.35 25.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.724 -0.61 . . . . 0.0 110.792 -174.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -9.81 16.45 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.807 -0.558 . . . . 0.0 111.881 -174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -86.21 30.68 0.67 Allowed 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.152 -0.967 . . . . 0.0 111.014 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.8 t70 60.47 27.44 17.07 Favored 'General case' 0 N--CA 1.504 2.271 0 O-C-N 120.961 -1.087 . . . . 0.0 110.511 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -120.08 142.3 49.0 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.431 -0.793 . . . . 0.0 110.15 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.92 144.47 51.1 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.668 -0.645 . . . . 0.0 110.204 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.569 ' HD3' HD11 ' A' ' 47' ' ' ILE . 40.9 tttp -144.03 132.54 22.2 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.709 -0.62 . . . . 0.0 110.247 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.6 p -102.1 120.98 41.32 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.675 -0.64 . . . . 0.0 109.93 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD11 ' HD3' ' A' ' 45' ' ' LYS . 80.0 mt -129.18 136.9 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.674 -0.641 . . . . 0.0 109.333 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 38.0 t -77.91 136.09 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.446 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -63.61 -24.49 67.82 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.596 -0.69 . . . . 0.0 111.357 -172.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -58.19 -25.0 61.04 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.321 -0.862 . . . . 0.0 110.806 -175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.72 10.01 19.69 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.486 -0.759 . . . . 0.0 111.401 175.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.831 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.7 mt -75.45 112.99 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 O-C-N 121.181 -0.949 . . . . 0.0 109.776 174.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -80.94 -40.29 24.76 Favored 'General case' 0 N--CA 1.495 1.82 0 C-N-CA 120.059 -0.656 . . . . 0.0 110.114 171.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -152.62 143.43 22.89 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 119.97 -0.692 . . . . 0.0 110.869 -174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -122.06 144.19 49.06 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.771 -0.58 . . . . 0.0 110.679 -178.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.441 HH21 HD21 ' A' ' 58' ' ' LEU . 13.7 ptt180 -146.77 154.65 41.63 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.583 -0.698 . . . . 0.0 110.172 169.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.479 HG12 HG12 ' A' ' 11' ' ' VAL . 69.0 mt -115.08 130.06 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 O-C-N 121.61 -0.681 . . . . 0.0 109.599 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD21 HH21 ' A' ' 56' ' ' ARG . 47.2 mt -79.66 148.07 68.56 Favored Pre-proline 0 N--CA 1.499 2.004 0 O-C-N 121.656 -0.652 . . . . 0.0 109.884 -178.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -70.61 -54.62 0.18 Allowed 'Trans proline' 0 N--CA 1.486 1.034 0 O-C-N 123.501 1.263 . . . . 0.0 110.205 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -135.45 154.58 51.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.711 -0.618 . . . . 0.0 110.149 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -96.31 117.82 31.59 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.678 -0.638 . . . . 0.0 110.16 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -100.53 133.77 44.49 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.591 -0.693 . . . . 0.0 110.201 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 68.4 mt -120.73 138.02 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 121.716 -0.615 . . . . 0.0 109.65 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -85.1 159.73 56.33 Favored Pre-proline 0 N--CA 1.498 1.935 0 O-C-N 121.715 -0.615 . . . . 0.0 110.047 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -67.14 110.15 1.91 Allowed 'Trans proline' 0 N--CA 1.488 1.201 0 O-C-N 123.735 1.387 . . . . 0.0 110.39 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -134.57 150.54 50.74 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.709 -0.62 . . . . 0.0 110.195 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -87.32 158.21 19.1 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.768 -0.583 . . . . 0.0 110.198 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.03 -28.7 14.47 Favored Glycine 0 N--CA 1.496 2.642 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.6 m -62.96 -33.65 75.82 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.488 -1.007 . . . . 0.0 110.491 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.3 mttm -82.94 129.86 35.07 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.686 -0.634 . . . . 0.0 110.088 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.404 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -86.69 -50.03 0.47 Allowed Pre-proline 0 N--CA 1.498 1.972 0 O-C-N 121.727 -0.608 . . . . 0.0 110.935 -179.287 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' CD ' ' N ' ' A' ' 71' ' ' SER . 23.5 Cg_exo -60.18 -29.77 89.79 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 O-C-N 123.082 1.043 . . . . 0.0 111.022 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 35.2 m -64.16 -33.76 76.51 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.643 -0.661 . . . . 0.0 110.625 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.1 p -121.2 168.44 11.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.572 -0.705 . . . . 0.0 110.255 -178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.41 112.14 24.74 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.705 -0.622 . . . . 0.0 110.151 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.7 p -144.28 157.6 44.19 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.736 -0.602 . . . . 0.0 110.195 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.1 p -119.49 29.4 7.63 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.679 -0.638 . . . . 0.0 110.525 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -101.0 115.79 31.3 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.533 -0.729 . . . . 0.0 110.184 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.525 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 mp -76.21 -32.17 58.81 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.745 -0.597 . . . . 0.0 110.475 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -61.3 -37.34 82.86 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.593 -0.692 . . . . 0.0 110.681 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.4 p -68.17 -32.47 72.75 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.655 -0.653 . . . . 0.0 110.276 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.07 73.79 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.731 -0.606 . . . . 0.0 110.433 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 56.8 -81.79 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.933 -0.48 . . . . 0.0 111.302 -178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 27.6 m -82.4 132.97 35.21 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.204 -0.935 . . . . 0.0 110.04 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -66.14 -40.17 90.42 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.682 -0.636 . . . . 0.0 110.214 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.7 p -146.18 -68.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.639 -0.663 . . . . 0.0 110.076 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.3 p -160.98 157.53 26.5 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.619 -0.676 . . . . 0.0 110.231 178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.9 mttp 53.02 93.06 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.356 0 O-C-N 121.624 -0.673 . . . . 0.0 111.095 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -64.74 -34.9 79.42 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.665 -0.647 . . . . 0.0 110.399 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -104.21 147.47 27.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.637 -0.664 . . . . 0.0 110.208 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 4.3 m-90 -66.53 -41.99 87.94 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.693 -0.629 . . . . 0.0 110.259 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.5 t -161.39 -65.21 0.06 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.687 -0.633 . . . . 0.0 110.227 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 48.5 ttm -154.57 131.29 10.72 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.619 -0.676 . . . . 0.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -95.63 132.95 40.24 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.715 -0.616 . . . . 0.0 110.206 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 6.0 t -159.71 -46.6 0.05 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.648 -0.657 . . . . 0.0 110.215 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -65.76 -38.33 88.8 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.706 -0.621 . . . . 0.0 110.397 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.559 ' OE1' ' HB1' ' A' ' 103' ' ' ALA . 81.2 mt-10 -118.23 143.93 46.16 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.671 -0.643 . . . . 0.0 110.165 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -69.1 -42.51 76.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.737 -0.602 . . . . 0.0 110.288 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -114.59 130.89 56.83 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.593 -0.692 . . . . 0.0 110.292 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.95 -36.29 77.76 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.636 -0.665 . . . . 0.0 110.239 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -67.35 -40.88 85.89 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.78 -0.575 . . . . 0.0 110.416 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.97 141.54 35.59 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.677 -0.64 . . . . 0.0 110.3 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.559 ' HB1' ' OE1' ' A' ' 97' ' ' GLU . . . -152.4 123.87 7.76 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.673 -0.642 . . . . 0.0 110.166 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -65.24 -37.48 87.38 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.682 -0.636 . . . . 0.0 110.232 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.5 tp -107.65 131.54 54.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.765 -0.585 . . . . 0.0 110.075 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -95.99 135.96 37.06 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.648 -0.658 . . . . 0.0 110.157 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -104.22 30.02 5.57 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.692 -0.63 . . . . 0.0 110.484 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 51.95 90.08 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.55 -0.719 . . . . 0.0 111.016 -179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -133.52 30.99 3.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.658 -0.651 . . . . 0.0 110.431 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -137.24 106.0 5.89 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.684 -0.635 . . . . 0.0 110.15 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -140.2 127.44 21.12 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.652 -0.655 . . . . 0.0 110.111 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -106.38 114.99 29.43 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.718 -0.614 . . . . 0.0 110.084 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.82 139.86 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.754 -0.591 . . . . 0.0 109.777 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -114.76 152.55 31.88 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.697 -0.627 . . . . 0.0 110.112 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -94.22 129.34 40.88 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.656 -0.652 . . . . 0.0 110.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -113.18 132.18 55.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.633 -0.667 . . . . 0.0 110.164 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.94 31.8 5.04 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.721 -0.612 . . . . 0.0 110.392 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -63.87 -37.56 87.85 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.594 -0.691 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -107.93 152.55 24.29 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.698 -0.626 . . . . 0.0 110.206 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -96.32 145.42 25.62 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.749 -0.594 . . . . 0.0 110.175 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.204 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -66.85 -29.89 69.92 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.679 -0.895 . . . . 0.0 110.534 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.8 mtp -61.94 -35.63 78.99 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.539 -0.725 . . . . 0.0 110.498 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -90.79 142.65 16.3 Favored Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt -123.01 145.24 48.67 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.679 -0.895 . . . . 0.0 110.191 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 m -126.82 151.9 47.69 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.685 -0.634 . . . . 0.0 110.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.42 -31.44 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.131 0 O-C-N 121.723 -0.611 . . . . 0.0 110.06 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.04 -30.35 70.91 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.568 -0.708 . . . . 0.0 110.647 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -64.5 -40.24 95.29 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.623 -0.673 . . . . 0.0 110.442 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -77.02 -30.66 55.87 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.683 -0.636 . . . . 0.0 110.345 178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -66.63 130.39 43.02 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.575 -0.703 . . . . 0.0 110.092 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.22 -1.97 88.4 Favored Glycine 0 N--CA 1.495 2.59 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -177.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.08 142.23 28.08 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.202 -1.175 . . . . 0.0 110.078 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -93.52 114.93 27.41 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.617 -0.677 . . . . 0.0 109.961 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.594 HG21 HD11 ' A' ' 25' ' ' ILE . 28.5 m -129.16 161.33 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.847 -0.533 . . . . 0.0 109.627 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -118.67 146.08 44.98 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.493 -0.754 . . . . 0.0 109.471 173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.851 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -134.63 142.78 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.645 -0.659 . . . . 0.0 109.935 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.469 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.91 136.06 33.59 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 119.243 -0.983 . . . . 0.0 109.395 168.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 51' ' ' ASP . 85.8 mt -87.26 173.71 9.03 Favored 'General case' 0 N--CA 1.492 1.626 0 C-N-CA 119.801 -0.759 . . . . 0.0 109.938 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.12 -14.93 11.68 Favored 'General case' 0 N--CA 1.508 2.472 0 O-C-N 121.846 -0.534 . . . . 0.0 111.907 -175.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 p-10 -95.92 22.76 7.03 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.275 -0.89 . . . . 0.0 111.023 178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.87 25.98 12.72 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.323 -0.861 . . . . 0.0 110.748 175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.2 p -103.34 145.88 29.31 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.538 -0.726 . . . . 0.0 109.304 171.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HB3' HD22 ' A' ' 14' ' ' LEU . 24.9 pttt -109.95 142.22 41.63 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.489 -0.757 . . . . 0.0 110.823 -174.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.59 39.3 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.769 -0.582 . . . . 0.0 109.838 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.568 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.8 ptt85 -136.95 144.61 43.49 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.536 -0.728 . . . . 0.0 110.709 -176.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -174.39 46.53 Favored Glycine 0 N--CA 1.495 2.626 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 52.0 t -89.66 142.55 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.973 0 O-C-N 121.643 -0.916 . . . . 0.0 109.695 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 11' ' ' VAL . 81.8 mt -83.1 139.83 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.654 -0.654 . . . . 0.0 109.967 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' ' 38' ' ' ARG . 38.8 p -125.07 -36.07 2.58 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.641 -0.662 . . . . 0.0 111.516 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -136.49 145.94 45.71 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.136 -0.977 . . . . 0.0 111.041 -173.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -149.08 128.52 13.04 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.791 -0.568 . . . . 0.0 109.612 173.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -122.1 120.03 33.07 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.65 -0.656 . . . . 0.0 109.868 -176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.6 t -67.93 -30.87 70.29 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.836 -0.54 . . . . 0.0 110.815 -177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -61.08 -53.41 57.44 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.469 -0.769 . . . . 0.0 110.851 -175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -114.24 6.23 16.12 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.684 -0.635 . . . . 0.0 111.396 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m 51.55 67.06 1.02 Allowed 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.233 -0.917 . . . . 0.0 110.905 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.031 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -114.8 134.93 56.27 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 O-C-N 121.533 -0.729 . . . . 0.0 109.696 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -126.38 124.82 41.07 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.718 -0.614 . . . . 0.0 110.369 -174.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -102.17 129.57 48.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.782 -0.574 . . . . 0.0 109.779 174.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 25' ' ' ILE . 95.1 mt -110.95 121.71 46.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.844 -0.535 . . . . 0.0 110.009 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.682 ' HB2' HG21 ' A' ' 26' ' ' THR . 29.3 ttm180 -97.51 123.85 41.53 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.724 -0.61 . . . . 0.0 109.783 176.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.9 tp -102.14 149.93 23.78 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.665 -0.647 . . . . 0.0 110.781 -174.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.61 -9.51 13.97 Favored 'General case' 0 N--CA 1.503 2.187 0 O-C-N 121.934 -0.479 . . . . 0.0 111.798 -173.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.59 31.0 0.6 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.036 -1.04 . . . . 0.0 110.997 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.95 29.27 17.39 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.021 -1.05 . . . . 0.0 110.379 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -121.73 141.7 50.92 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.539 -0.726 . . . . 0.0 110.097 177.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -128.27 144.06 51.09 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.682 -0.636 . . . . 0.0 110.267 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.4 mttt -141.54 142.04 33.54 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.655 -0.653 . . . . 0.0 110.614 -178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.6 p -108.83 119.19 38.81 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.811 -0.556 . . . . 0.0 109.952 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -130.08 131.54 65.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 109.484 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.031 HG22 HD12 ' A' ' 34' ' ' ILE . 39.5 t -72.14 137.83 22.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 67.3 p -62.32 -24.42 67.31 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.593 -0.692 . . . . 0.0 111.404 -172.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.9 tttt -57.13 -25.0 58.12 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.311 -0.868 . . . . 0.0 110.845 -175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' O ' HD23 ' A' ' 15' ' ' LEU . 4.6 p30 -87.58 9.81 19.93 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.508 -0.745 . . . . 0.0 111.377 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.851 HG23 ' CG2' ' A' ' 13' ' ' VAL . 89.7 mt -78.77 113.0 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.194 -0.941 . . . . 0.0 109.838 174.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -79.94 -40.08 28.87 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.987 171.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.558 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.0 m-20 -153.77 148.72 26.66 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 121.603 -0.685 . . . . 0.0 110.933 -175.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD11 HG21 ' A' ' 52' ' ' ILE . 15.2 mt -127.08 144.17 51.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.705 -0.622 . . . . 0.0 111.023 -176.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -146.96 159.04 44.04 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.666 -0.646 . . . . 0.0 109.946 171.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.529 HG12 HG12 ' A' ' 11' ' ' VAL . 75.9 mt -113.95 130.07 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.568 -0.708 . . . . 0.0 109.212 175.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.03 148.24 53.14 Favored Pre-proline 0 N--CA 1.497 1.923 0 O-C-N 121.602 -0.686 . . . . 0.0 110.065 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -71.0 172.21 14.29 Favored 'Trans proline' 0 N--CA 1.487 1.135 0 O-C-N 123.634 1.334 . . . . 0.0 110.342 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.7 tttt -69.33 137.6 53.06 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.69 -0.631 . . . . 0.0 109.993 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -95.49 128.79 42.63 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.711 -0.618 . . . . 0.0 110.298 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -99.99 30.57 3.67 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.781 -0.574 . . . . 0.0 110.358 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.4 mm 53.6 89.14 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.372 0 O-C-N 121.372 -0.83 . . . . 0.0 110.538 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.6 tpp -96.06 138.43 21.64 Favored Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 121.606 -0.684 . . . . 0.0 109.918 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -64.36 -31.96 61.7 Favored 'Trans proline' 0 N--CA 1.49 1.295 0 O-C-N 123.394 1.208 . . . . 0.0 110.651 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -106.06 122.68 46.66 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.531 -0.731 . . . . 0.0 110.243 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -66.64 -37.33 84.61 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.702 -0.624 . . . . 0.0 110.232 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.51 177.8 41.48 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.463 ' O ' HG22 ' A' ' 69' ' ' THR . 19.3 m -152.63 33.46 0.5 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.768 -0.842 . . . . 0.0 110.26 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -64.42 -44.21 91.92 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.668 -0.645 . . . . 0.0 110.39 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.4 p -161.31 89.4 1.57 Allowed Pre-proline 0 N--CA 1.495 1.814 0 O-C-N 121.588 -0.695 . . . . 0.0 110.234 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -68.08 134.7 32.5 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 O-C-N 123.544 1.286 . . . . 0.0 110.331 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -161.39 -63.87 0.06 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.673 -0.642 . . . . 0.0 110.256 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.0 m -67.35 -35.42 79.35 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.599 -0.688 . . . . 0.0 110.217 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -98.91 129.72 45.26 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.678 -0.639 . . . . 0.0 110.208 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.5 p -147.88 167.3 25.16 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.753 -0.592 . . . . 0.0 110.176 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 31.5 p -85.53 104.01 14.91 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.739 -0.6 . . . . 0.0 110.14 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -138.08 142.12 40.25 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.717 -0.615 . . . . 0.0 110.116 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 82.0 mt -90.13 136.38 33.08 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.741 -0.6 . . . . 0.0 110.082 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -102.73 129.87 49.49 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.672 -0.642 . . . . 0.0 110.275 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.8 p -68.43 -30.13 68.94 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.686 -0.634 . . . . 0.0 110.419 179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.91 73.17 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.573 -0.705 . . . . 0.0 110.467 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -92.84 132.43 37.0 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.697 -0.627 . . . . 0.0 110.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.9 p -129.52 161.79 29.66 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.711 -0.618 . . . . 0.0 110.215 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -160.43 33.01 0.16 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.736 -0.602 . . . . 0.0 110.31 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.1 m -157.07 33.96 0.29 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.688 -0.632 . . . . 0.0 110.274 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 88.5 p -125.85 156.31 39.79 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.625 -0.672 . . . . 0.0 110.218 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -123.13 131.93 53.88 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.732 -0.605 . . . . 0.0 110.155 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -106.59 114.08 27.97 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.722 -0.611 . . . . 0.0 110.229 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -101.98 30.09 4.64 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.73 -0.606 . . . . 0.0 110.419 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -100.77 118.91 37.81 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.586 -0.696 . . . . 0.0 110.212 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -129.7 150.08 51.17 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.689 -0.632 . . . . 0.0 110.264 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.8 mmt -125.46 155.67 40.12 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.613 -0.679 . . . . 0.0 110.263 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -91.07 132.96 35.7 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.639 -0.663 . . . . 0.0 110.166 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.2 m -106.28 157.68 17.41 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.699 -0.625 . . . . 0.0 110.164 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -64.1 -38.3 90.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.665 -0.647 . . . . 0.0 110.449 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -117.06 137.21 52.41 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.682 -0.636 . . . . 0.0 110.205 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -69.18 -41.26 77.43 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.645 -0.659 . . . . 0.0 110.082 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -114.79 130.66 56.89 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.676 -0.64 . . . . 0.0 110.237 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -91.61 118.17 30.38 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.721 -0.612 . . . . 0.0 110.161 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -160.5 34.01 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.668 -0.645 . . . . 0.0 110.193 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.22 148.58 26.17 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.714 -0.617 . . . . 0.0 110.177 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.22 144.78 27.96 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.719 -0.613 . . . . 0.0 110.151 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -64.82 -35.58 81.58 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.685 -0.634 . . . . 0.0 110.425 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.7 138.79 36.28 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.724 -0.61 . . . . 0.0 110.17 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -111.06 144.2 40.56 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.655 -0.653 . . . . 0.0 110.149 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -141.18 -169.57 2.87 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.693 -0.629 . . . . 0.0 110.405 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -104.88 141.98 35.57 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.722 -0.611 . . . . 0.0 110.225 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -82.19 125.58 31.08 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.7 -0.625 . . . . 0.0 110.124 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -131.83 148.62 52.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.731 -0.606 . . . . 0.0 110.394 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -102.35 37.79 1.82 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.712 -0.617 . . . . 0.0 110.025 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 52.22 -172.78 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.294 0 O-C-N 121.502 -0.749 . . . . 0.0 111.004 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 29.2 m -115.37 30.38 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.69 -0.631 . . . . 0.0 110.476 -179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -101.74 130.49 48.15 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.574 -0.704 . . . . 0.0 110.207 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.5 138.19 43.01 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.725 -0.609 . . . . 0.0 110.187 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -106.73 135.41 48.32 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.671 -0.643 . . . . 0.0 110.054 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -108.52 98.97 8.41 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.653 -0.654 . . . . 0.0 110.198 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -142.68 132.77 24.49 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.662 -0.649 . . . . 0.0 110.11 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -69.26 -36.13 76.79 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.716 -0.615 . . . . 0.0 110.049 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -66.19 -34.42 78.0 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.709 -0.619 . . . . 0.0 110.308 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.494 1.748 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.234 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.271 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -144.51 156.05 43.99 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.645 -0.915 . . . . 0.0 110.18 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -118.43 153.37 34.21 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.705 -0.622 . . . . 0.0 110.195 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 164.48 -126.32 1.49 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.6 tpp -95.6 127.58 41.75 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.709 -0.877 . . . . 0.0 110.153 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 m -122.7 152.3 40.7 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.651 -0.656 . . . . 0.0 110.365 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -66.53 -31.17 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.167 0 O-C-N 121.801 -0.562 . . . . 0.0 110.031 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.49 69.96 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.611 -0.681 . . . . 0.0 110.653 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.94 -39.43 94.14 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.514 -0.741 . . . . 0.0 110.254 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.65 -32.27 69.5 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.696 -0.628 . . . . 0.0 110.07 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -65.84 132.22 48.17 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.663 -0.648 . . . . 0.0 110.026 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.4 2.35 90.59 Favored Glycine 0 N--CA 1.494 2.506 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 -176.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.27 146.41 25.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.157 -1.202 . . . . 0.0 110.044 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.519 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.7 m120 -91.87 114.85 27.5 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.585 -0.697 . . . . 0.0 109.916 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.598 HG12 HG12 ' A' ' 57' ' ' ILE . 31.3 m -130.51 158.75 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -118.65 144.21 46.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.556 -0.715 . . . . 0.0 109.188 172.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.857 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.8 p -132.87 141.02 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 O-C-N 121.618 -0.676 . . . . 0.0 109.714 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.703 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.36 136.06 36.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.036 -1.065 . . . . 0.0 109.479 170.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.62 176.06 8.84 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.042 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.94 -21.22 42.92 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 121.659 -0.651 . . . . 0.0 111.557 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.0 p-10 -102.28 31.28 4.07 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.441 -0.787 . . . . 0.0 110.686 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 p30 52.84 27.03 5.01 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.751 -0.593 . . . . 0.0 111.201 167.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 88.2 p -102.65 132.9 48.45 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.703 ' HG2' HD22 ' A' ' 14' ' ' LEU . 44.0 mttt -109.8 137.23 47.89 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.909 -0.716 . . . . 0.0 110.394 -168.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 152.84 43.71 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.81 -0.556 . . . . 0.0 110.092 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -136.42 160.18 39.54 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.561 -0.712 . . . . 0.0 110.067 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.64 -173.53 45.85 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 HG22 ' ND2' ' A' ' 10' ' ' ASN . 60.5 t -94.57 129.43 44.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.597 -0.943 . . . . 0.0 109.39 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.574 HD11 HG21 ' A' ' 11' ' ' VAL . 82.9 mt -67.21 137.6 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.163 0 O-C-N 121.653 -0.654 . . . . 0.0 110.058 -177.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.706 HG21 ' HB2' ' A' ' 38' ' ' ARG . 40.1 p -125.1 -36.13 2.56 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.764 -0.585 . . . . 0.0 111.463 -178.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -138.26 147.8 44.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.088 -1.007 . . . . 0.0 111.094 -173.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -149.11 130.86 15.06 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.813 -0.555 . . . . 0.0 109.671 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -122.02 122.16 38.67 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.697 -0.627 . . . . 0.0 110.029 -176.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.86 -26.06 63.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.834 -0.541 . . . . 0.0 110.82 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.46 -49.06 78.32 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 121.412 -0.805 . . . . 0.0 110.777 -176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -124.0 9.99 8.78 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.599 -0.688 . . . . 0.0 111.267 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 51.14 67.03 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.249 -0.907 . . . . 0.0 110.992 -178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.071 HD12 HG22 ' A' ' 48' ' ' VAL . 44.1 mm -114.73 131.83 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.957 0 O-C-N 121.555 -0.716 . . . . 0.0 109.713 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.1 tp -122.96 124.6 43.55 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.722 -0.611 . . . . 0.0 110.307 -174.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -99.19 128.79 45.37 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.805 -0.559 . . . . 0.0 109.773 173.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.94 120.57 42.82 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.79 -0.569 . . . . 0.0 109.934 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.706 ' HB2' HG21 ' A' ' 26' ' ' THR . 69.2 ttp85 -103.17 121.42 42.61 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.705 -0.622 . . . . 0.0 109.946 178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD13 ' HA2' ' A' ' 23' ' ' GLY . 60.4 tp -102.05 153.82 19.55 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.67 -0.644 . . . . 0.0 110.68 -174.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.36 -6.52 10.31 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.955 -0.465 . . . . 0.0 112.054 -171.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -86.4 30.66 0.69 Allowed 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.018 -1.051 . . . . 0.0 110.87 174.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 57.92 29.04 17.0 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.154 -0.966 . . . . 0.0 110.444 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.0 m -122.49 138.02 54.69 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.502 -0.749 . . . . 0.0 110.012 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -130.1 144.63 51.45 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.683 -0.636 . . . . 0.0 110.154 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -140.76 142.07 34.78 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.631 -0.668 . . . . 0.0 110.603 -179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.0 p -103.43 119.46 38.94 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.796 -0.565 . . . . 0.0 109.916 177.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -128.91 129.74 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.62 -0.675 . . . . 0.0 109.449 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.071 HG22 HD12 ' A' ' 34' ' ' ILE . 38.5 t -71.7 136.66 25.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.3 p -62.07 -24.58 67.18 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.629 -0.669 . . . . 0.0 111.323 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -59.12 -25.69 64.07 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.323 -0.861 . . . . 0.0 110.833 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.17 10.85 17.99 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.459 -0.776 . . . . 0.0 111.26 176.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.857 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.3 mt -76.71 112.9 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 O-C-N 121.149 -0.97 . . . . 0.0 109.818 173.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 47.7 tptt -81.46 -39.14 25.29 Favored 'General case' 0 N--CA 1.497 1.9 0 C-N-CA 120.012 -0.675 . . . . 0.0 110.044 171.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.1 m-20 -153.6 146.06 24.05 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 121.598 -0.689 . . . . 0.0 110.853 -174.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 52' ' ' ILE . 14.1 mt -126.05 144.26 50.79 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.761 -0.587 . . . . 0.0 110.871 -176.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -148.37 159.01 44.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.66 -0.65 . . . . 0.0 110.141 172.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.598 HG12 HG12 ' A' ' 11' ' ' VAL . 80.4 mt -114.79 129.94 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.598 -0.689 . . . . 0.0 109.261 175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.42 146.6 98.77 Favored Pre-proline 0 N--CA 1.5 2.04 0 O-C-N 121.576 -0.703 . . . . 0.0 110.185 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -69.04 136.48 35.01 Favored 'Trans proline' 0 N--CA 1.488 1.185 0 O-C-N 123.621 1.327 . . . . 0.0 110.439 -177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -66.32 -34.33 77.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.758 -0.588 . . . . 0.0 110.239 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -92.26 164.81 13.4 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.736 -0.602 . . . . 0.0 110.293 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -65.62 -32.94 74.8 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.647 -0.658 . . . . 0.0 110.48 -179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.7 pt -120.51 159.96 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 O-C-N 121.655 -0.653 . . . . 0.0 110.307 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.6 mtm -95.8 153.91 39.2 Favored Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 121.699 -0.626 . . . . 0.0 110.177 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -68.27 146.48 69.56 Favored 'Trans proline' 0 N--CA 1.487 1.109 0 O-C-N 123.595 1.313 . . . . 0.0 110.384 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -132.92 122.44 24.33 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.632 -0.667 . . . . 0.0 109.999 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -144.19 167.47 22.33 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.729 -0.607 . . . . 0.0 110.313 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.52 69.51 0.27 Allowed Glycine 0 N--CA 1.493 2.484 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.9 t -115.57 33.22 5.59 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.685 -0.891 . . . . 0.0 110.368 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -63.64 -33.51 75.78 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.699 -0.625 . . . . 0.0 110.441 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -112.51 166.7 10.46 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.611 -0.681 . . . . 0.0 110.206 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.22 146.19 85.87 Favored 'Trans proline' 0 N--CA 1.488 1.174 0 O-C-N 123.647 1.341 . . . . 0.0 110.483 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.6 p -145.25 173.09 12.26 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.727 -0.608 . . . . 0.0 110.302 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.7 t -123.46 165.19 17.49 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.788 -0.57 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 53.41 45.82 27.56 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.574 -0.704 . . . . 0.0 110.8 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.2 p -64.34 -30.68 71.72 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.533 -0.729 . . . . 0.0 110.585 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 38.3 p -100.99 147.75 25.82 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.597 -0.689 . . . . 0.0 110.175 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -136.0 151.29 49.74 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.734 -0.604 . . . . 0.0 110.208 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.1 tp -96.86 126.52 42.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.687 -0.633 . . . . 0.0 110.006 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -99.66 29.11 4.26 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.703 -0.623 . . . . 0.0 110.661 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.1 m -67.71 -36.38 80.52 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.538 -0.726 . . . . 0.0 110.182 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.1 75.58 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.725 -0.609 . . . . 0.0 110.337 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -140.07 142.07 36.17 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.643 -0.661 . . . . 0.0 110.499 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.3 t -140.82 33.41 1.79 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.662 -0.649 . . . . 0.0 110.314 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -116.41 158.02 24.17 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.656 -0.652 . . . . 0.0 110.193 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.1 m -110.95 145.2 38.78 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.73 -0.606 . . . . 0.0 110.256 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.5 m -66.39 -33.79 76.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.76 -0.588 . . . . 0.0 110.486 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -93.5 136.88 33.34 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.655 -0.653 . . . . 0.0 110.333 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -112.38 136.81 51.4 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.691 -0.631 . . . . 0.0 110.075 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -98.94 24.76 7.34 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.649 -0.657 . . . . 0.0 110.859 -179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 39.8 m95 -68.58 -42.22 78.57 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.445 -0.784 . . . . 0.0 110.089 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.2 t -158.17 133.05 8.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.619 -0.676 . . . . 0.0 110.211 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.7 mtp -97.82 -67.02 0.87 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.687 -0.633 . . . . 0.0 110.242 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -109.02 155.61 20.7 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.253 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.4 m -118.71 128.77 54.82 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.753 -0.592 . . . . 0.0 110.086 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -108.51 166.39 10.81 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.728 -0.608 . . . . 0.0 110.426 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -110.06 159.66 17.12 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.679 -0.638 . . . . 0.0 110.097 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -95.35 145.55 25.03 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.677 -0.64 . . . . 0.0 110.243 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.93 152.84 35.59 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.732 -0.605 . . . . 0.0 110.18 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -88.3 114.96 25.45 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.626 -0.671 . . . . 0.0 110.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -141.64 -61.8 0.46 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.645 -0.659 . . . . 0.0 110.263 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.62 31.18 6.89 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.734 -0.604 . . . . 0.0 110.447 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -96.23 109.75 22.16 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.631 -0.668 . . . . 0.0 110.192 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -144.73 108.46 4.68 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.661 -0.649 . . . . 0.0 110.237 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' ' 105' ' ' LEU . 8.8 tt -64.94 -39.1 92.99 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.681 -0.637 . . . . 0.0 110.217 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 52.57 92.27 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.348 0 O-C-N 121.667 -0.646 . . . . 0.0 110.942 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -98.41 133.94 42.1 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.633 -0.667 . . . . 0.0 110.157 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -101.28 122.88 44.47 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.653 -0.654 . . . . 0.0 110.122 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -98.39 114.78 27.24 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.72 -0.612 . . . . 0.0 110.171 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -121.3 118.53 29.77 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.721 -0.612 . . . . 0.0 110.143 178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -92.41 -40.77 10.69 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.716 -0.615 . . . . 0.0 110.207 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -125.24 147.19 49.19 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.675 -0.641 . . . . 0.0 110.103 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.0 m -131.61 143.57 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.989 0 O-C-N 121.712 -0.617 . . . . 0.0 110.258 179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -151.15 160.1 44.06 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.715 -0.615 . . . . 0.0 110.305 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -104.57 132.71 50.5 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.663 -0.648 . . . . 0.0 110.087 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -68.73 -39.14 80.53 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.678 -0.638 . . . . 0.0 110.195 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -163.45 32.3 0.09 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.759 -0.588 . . . . 0.0 110.282 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -109.11 27.92 9.02 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.547 -0.72 . . . . 0.0 110.691 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -67.74 -40.26 84.18 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.488 -0.758 . . . . 0.0 110.173 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.28 -41.37 4.9 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.746 -0.596 . . . . 0.0 110.118 179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.228 -179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -143.73 155.55 44.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.685 -0.891 . . . . 0.0 110.182 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.1 mtp -124.06 158.62 31.76 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.658 -0.651 . . . . 0.0 110.156 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -136.68 80.54 0.3 Allowed Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp -119.56 163.48 17.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.687 -0.89 . . . . 0.0 110.258 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -116.48 156.3 27.11 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.655 -0.653 . . . . 0.0 110.166 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.04 -32.14 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 121.703 -0.623 . . . . 0.0 110.111 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.19 -30.14 70.23 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.557 -0.714 . . . . 0.0 110.594 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -64.82 -39.4 93.52 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.631 -0.668 . . . . 0.0 110.378 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -69.55 -32.55 71.41 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.701 -0.624 . . . . 0.0 110.163 179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -65.88 128.35 35.67 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.633 -0.667 . . . . 0.0 110.08 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.05 0.96 80.19 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 110.686 -0.965 . . . . 0.0 110.686 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 p -87.18 149.5 24.59 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.116 -1.226 . . . . 0.0 110.143 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -95.72 114.9 26.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.561 -0.712 . . . . 0.0 109.903 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 25' ' ' ILE . 28.6 m -130.23 162.95 37.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.736 -0.602 . . . . 0.0 109.623 178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 58' ' ' LEU . 47.1 tt0 -118.73 146.08 45.04 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.609 -0.682 . . . . 0.0 109.255 173.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.856 ' CG2' HG23 ' A' ' 52' ' ' ILE . 11.1 p -134.74 141.32 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.554 -0.716 . . . . 0.0 109.776 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -95.25 136.01 36.13 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 119.111 -1.035 . . . . 0.0 109.591 170.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.7 mt -83.45 176.66 8.91 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.911 -0.716 . . . . 0.0 110.067 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.63 -22.07 43.34 Favored 'General case' 0 N--CA 1.507 2.402 0 O-C-N 121.686 -0.634 . . . . 0.0 111.535 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.2 p-10 -98.77 24.45 7.59 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.107 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.73 25.95 12.46 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.2 p -96.25 133.0 41.13 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 170.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HG2' HD22 ' A' ' 14' ' ' LEU . 38.8 mttt -109.77 137.03 48.16 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.537 -0.727 . . . . 0.0 110.374 -170.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.11 147.45 36.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.833 -0.542 . . . . 0.0 109.997 175.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.549 ' O ' HD13 ' A' ' 39' ' ' LEU . 42.7 ptt85 -138.58 150.97 46.87 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.626 -0.671 . . . . 0.0 110.636 -178.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -172.82 45.13 Favored Glycine 0 N--CA 1.494 2.531 0 N-CA-C 109.246 -1.542 . . . . 0.0 109.246 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.15 136.07 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.635 -0.92 . . . . 0.0 109.618 -177.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD11 HG21 ' A' ' 11' ' ' VAL . 91.3 mt -77.13 138.6 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.052 0 O-C-N 121.604 -0.685 . . . . 0.0 110.044 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.699 HG21 ' HB2' ' A' ' 38' ' ' ARG . 36.1 p -125.11 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.687 -0.633 . . . . 0.0 111.563 -179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -137.88 149.03 45.92 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.104 -0.997 . . . . 0.0 111.136 -172.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -149.16 132.16 16.22 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 174.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -122.03 119.35 31.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.706 -0.621 . . . . 0.0 110.039 -177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -68.82 -26.44 65.17 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.75 -0.593 . . . . 0.0 110.756 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 t -61.23 -51.75 67.68 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.42 -0.8 . . . . 0.0 110.79 -177.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -124.0 16.47 9.27 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.568 -0.708 . . . . 0.0 111.179 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 p 46.93 67.0 0.86 Allowed 'General case' 0 N--CA 1.507 2.414 0 O-C-N 121.639 -0.663 . . . . 0.0 111.547 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.022 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -113.94 132.06 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.476 -0.765 . . . . 0.0 109.684 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD11 HG23 ' A' ' 25' ' ' ILE . 10.6 tp -122.76 125.3 45.22 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.644 -0.66 . . . . 0.0 110.215 -174.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.93 129.12 45.98 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.741 -0.599 . . . . 0.0 109.792 174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 25' ' ' ILE . 58.8 mt -110.94 120.01 40.96 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.781 -0.574 . . . . 0.0 109.941 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.699 ' HB2' HG21 ' A' ' 26' ' ' THR . 57.0 ttt85 -96.4 124.06 40.26 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 120.239 -0.584 . . . . 0.0 109.753 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 22' ' ' ARG . 23.7 tp -102.11 149.57 24.14 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.68 -0.638 . . . . 0.0 110.786 -173.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -9.57 14.66 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.95 -0.469 . . . . 0.0 111.871 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -85.79 30.94 0.62 Allowed 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.072 -1.017 . . . . 0.0 110.985 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.01 29.37 17.61 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 121.042 -1.036 . . . . 0.0 110.413 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.9 m -121.32 141.46 50.91 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.458 -0.776 . . . . 0.0 110.106 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -127.85 144.41 51.09 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.712 -0.617 . . . . 0.0 110.207 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -143.96 142.05 30.52 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.639 -0.663 . . . . 0.0 110.572 -178.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 94.5 p -106.83 121.07 43.67 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.802 -0.561 . . . . 0.0 109.955 177.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.5 mt -129.12 130.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.635 -0.665 . . . . 0.0 109.428 -178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.022 HG22 HD12 ' A' ' 34' ' ' ILE . 34.9 t -72.72 136.63 25.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.26 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.412 ' HB ' HD12 ' A' ' 52' ' ' ILE . 69.5 p -64.57 -24.55 67.63 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.594 -0.691 . . . . 0.0 111.494 -172.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -57.75 -25.06 59.91 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.28 -0.887 . . . . 0.0 110.955 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -87.4 9.6 20.13 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 119.834 -0.746 . . . . 0.0 111.321 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.856 HG23 ' CG2' ' A' ' 13' ' ' VAL . 88.9 mt -77.13 112.91 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.14 -0.975 . . . . 0.0 109.839 174.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -81.21 -40.29 24.08 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.087 171.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 13' ' ' VAL . 64.7 m-20 -152.18 143.9 23.6 Favored 'General case' 0 N--CA 1.502 2.161 0 C-N-CA 120.011 -0.675 . . . . 0.0 110.863 -173.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 52' ' ' ILE . 14.2 mt -123.86 144.2 49.89 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.73 -0.606 . . . . 0.0 110.827 -177.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -147.82 158.99 44.3 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.682 -0.636 . . . . 0.0 110.082 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.483 HG12 HG12 ' A' ' 11' ' ' VAL . 78.8 mt -112.4 130.04 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.655 -0.653 . . . . 0.0 109.294 175.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 12' ' ' GLU . 43.6 mt -85.5 148.57 49.68 Favored Pre-proline 0 N--CA 1.497 1.925 0 O-C-N 121.662 -0.649 . . . . 0.0 110.078 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 58' ' ' LEU . 16.6 Cg_exo -63.64 142.63 84.5 Favored 'Trans proline' 0 N--CA 1.491 1.324 0 O-C-N 123.457 1.241 . . . . 0.0 110.513 179.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -138.04 127.99 25.58 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.753 -0.592 . . . . 0.0 110.274 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 53.61 44.82 29.24 Favored 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.667 -0.646 . . . . 0.0 111.055 178.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -79.04 131.29 36.22 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.623 -0.673 . . . . 0.0 110.036 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 85.0 mt -129.32 -48.53 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.696 -0.628 . . . . 0.0 109.814 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.5 ptt? -68.24 154.68 93.73 Favored Pre-proline 0 N--CA 1.499 2.023 0 O-C-N 121.711 -0.618 . . . . 0.0 110.428 -178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -67.21 145.67 73.38 Favored 'Trans proline' 0 N--CA 1.488 1.156 0 O-C-N 123.588 1.309 . . . . 0.0 110.445 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -93.64 127.55 39.38 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.697 -0.627 . . . . 0.0 110.134 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.0 t30 53.07 40.38 31.11 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.546 -0.721 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.0 -62.2 1.38 Allowed Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.6 m -119.53 137.75 53.62 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.712 -0.875 . . . . 0.0 110.087 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -64.41 -33.48 75.96 Favored 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.653 -0.654 . . . . 0.0 110.538 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 m -111.91 91.64 15.83 Favored Pre-proline 0 N--CA 1.495 1.785 0 O-C-N 121.733 -0.604 . . . . 0.0 110.24 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.09 -29.82 56.25 Favored 'Trans proline' 0 N--CA 1.489 1.236 0 O-C-N 123.466 1.245 . . . . 0.0 110.626 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 51.0 m -115.16 149.74 37.16 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.588 -0.695 . . . . 0.0 110.137 178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.7 m -111.5 140.35 46.18 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.623 -0.673 . . . . 0.0 110.159 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -99.7 30.14 3.78 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.697 -0.627 . . . . 0.0 110.43 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -152.73 57.63 0.8 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.613 -0.679 . . . . 0.0 110.021 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.5 t -133.21 163.86 28.36 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.513 -0.742 . . . . 0.0 110.404 -179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -87.21 -170.3 2.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.752 -0.592 . . . . 0.0 110.141 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.1 tp -62.34 -39.65 93.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.561 -0.712 . . . . 0.0 110.409 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.0 pttt 36.72 41.14 0.16 Allowed 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.7 p -64.7 -33.71 76.59 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.635 -0.665 . . . . 0.0 110.431 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.88 -37.0 64.85 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.728 -0.608 . . . . 0.0 110.051 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -70.29 -34.1 72.35 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.697 -0.627 . . . . 0.0 110.133 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 23.2 m -89.82 145.34 25.24 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.666 -0.646 . . . . 0.0 110.124 -179.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -109.75 140.97 43.02 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.643 -0.66 . . . . 0.0 110.241 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.5 t -110.17 149.43 30.1 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.684 -0.635 . . . . 0.0 110.091 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.6 m -109.87 144.4 38.39 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.668 -0.645 . . . . 0.0 110.303 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -159.91 36.0 0.18 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.711 -0.618 . . . . 0.0 110.288 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -72.33 166.25 22.86 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.714 -0.616 . . . . 0.0 110.303 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -104.34 164.73 11.53 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.663 -0.648 . . . . 0.0 110.24 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -62.74 -31.21 72.09 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.614 -0.679 . . . . 0.0 110.665 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.6 p -68.12 164.57 20.02 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.641 -0.662 . . . . 0.0 110.244 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 88.9 mmm 53.07 -179.53 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.657 -0.652 . . . . 0.0 111.188 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -116.99 159.35 22.62 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.619 -0.675 . . . . 0.0 110.386 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 92.5 m -112.47 -65.06 1.22 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.692 -0.63 . . . . 0.0 110.233 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -113.65 -36.82 4.77 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.675 -0.64 . . . . 0.0 110.084 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -120.89 157.93 28.75 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.695 -0.628 . . . . 0.0 110.099 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -89.93 123.63 34.02 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.631 -0.668 . . . . 0.0 110.189 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -77.6 -37.3 50.68 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.696 -0.628 . . . . 0.0 110.144 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.5 t70 53.24 88.74 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.325 0 O-C-N 121.627 -0.67 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -107.3 130.67 54.74 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.568 -0.708 . . . . 0.0 110.285 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -152.5 149.32 28.41 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.687 -0.633 . . . . 0.0 110.159 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -151.09 141.29 22.25 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.677 -0.64 . . . . 0.0 110.266 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -140.66 165.76 26.6 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.736 -0.602 . . . . 0.0 110.178 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.4 mp -96.75 107.18 19.6 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.664 -0.648 . . . . 0.0 110.146 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.97 -33.36 73.56 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.739 -0.601 . . . . 0.0 110.357 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -63.3 -41.92 98.99 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.622 -0.674 . . . . 0.0 110.574 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -110.47 123.87 50.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.681 -0.637 . . . . 0.0 110.232 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -69.73 -44.38 70.42 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.109 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -144.82 158.77 43.67 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.668 -0.645 . . . . 0.0 110.381 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -112.27 128.93 56.4 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.692 -0.63 . . . . 0.0 110.195 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -124.12 98.89 5.98 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.753 -0.592 . . . . 0.0 110.128 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.0 t -131.7 135.81 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 O-C-N 121.72 -0.612 . . . . 0.0 109.798 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -102.58 129.82 49.25 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.699 -0.626 . . . . 0.0 110.125 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -105.4 -65.6 1.04 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.708 -0.62 . . . . 0.0 110.338 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -131.69 161.83 31.86 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.681 -0.637 . . . . 0.0 110.348 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -98.4 136.64 38.25 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.724 -0.61 . . . . 0.0 110.146 179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -90.93 141.44 28.83 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.728 -0.608 . . . . 0.0 110.244 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -120.11 163.87 17.03 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.695 -0.628 . . . . 0.0 110.205 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -132.51 163.41 28.88 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.685 -0.634 . . . . 0.0 110.337 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 N--CA 1.507 2.378 0 CA-C-O 117.865 -1.064 . . . . 0.0 110.894 -179.263 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -67.56 -33.18 74.51 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.564 -0.962 . . . . 0.0 110.251 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.5 mtp -122.24 159.49 27.21 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.734 -0.604 . . . . 0.0 110.128 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 85.44 -164.65 38.26 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm -99.04 137.22 37.88 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.716 -0.873 . . . . 0.0 110.188 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -125.72 152.67 44.99 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.706 -0.621 . . . . 0.0 110.281 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -66.71 -31.14 52.19 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.176 0 O-C-N 121.691 -0.631 . . . . 0.0 109.959 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.95 -28.04 68.69 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.587 -0.696 . . . . 0.0 110.714 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -63.49 -39.24 93.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.606 -0.684 . . . . 0.0 110.327 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -70.99 -33.32 70.29 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.668 -0.645 . . . . 0.0 110.109 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -66.17 140.24 58.18 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.643 -0.66 . . . . 0.0 110.139 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.45 5.94 89.59 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 110.611 -0.995 . . . . 0.0 110.611 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' OG ' HD12 ' A' ' 25' ' ' ILE . 86.4 p -87.3 141.34 28.71 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.187 -1.184 . . . . 0.0 110.298 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -87.01 114.91 24.02 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.6 -0.687 . . . . 0.0 109.774 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 25' ' ' ILE . 27.0 m -130.36 162.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -118.6 143.44 46.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.604 -0.685 . . . . 0.0 109.572 173.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.861 ' CG2' HG23 ' A' ' 52' ' ' ILE . 10.8 p -131.5 142.4 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.566 -0.709 . . . . 0.0 110.011 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.4 mt -97.52 136.08 38.44 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.566 169.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.2 mt -83.53 177.0 8.63 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.919 -0.712 . . . . 0.0 110.044 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.9 -22.04 46.43 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.784 -0.572 . . . . 0.0 111.535 -176.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -100.75 26.48 6.79 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.48 -0.762 . . . . 0.0 111.157 -175.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.93 25.9 14.29 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.303 -0.873 . . . . 0.0 110.946 172.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.0 p -100.31 137.63 38.47 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 168.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.708 ' HG2' HD22 ' A' ' 14' ' ' LEU . 41.5 mttt -109.63 142.75 40.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.511 -0.743 . . . . 0.0 110.417 -172.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.08 148.57 40.36 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.794 -0.567 . . . . 0.0 110.134 177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -124.86 153.12 43.07 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.623 -0.673 . . . . 0.0 109.576 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.462 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.71 171.38 41.91 Favored Glycine 0 N--CA 1.494 2.554 0 C-N-CA 119.567 -1.301 . . . . 0.0 110.016 175.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -94.92 125.92 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 O-C-N 121.845 -0.797 . . . . 0.0 109.32 177.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.753 HD11 HG21 ' A' ' 11' ' ' VAL . 89.0 mt -65.78 137.34 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.744 -0.597 . . . . 0.0 110.278 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.68 HG21 ' CG ' ' A' ' 38' ' ' ARG . 41.3 p -125.11 -36.21 2.55 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.844 -0.535 . . . . 0.0 111.311 -178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -136.97 147.89 46.59 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.207 -0.933 . . . . 0.0 111.049 -173.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -149.09 129.45 13.8 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.818 -0.551 . . . . 0.0 109.621 173.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -122.03 122.73 39.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.652 -0.655 . . . . 0.0 110.065 -176.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.5 p -70.79 -25.42 62.87 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.832 -0.543 . . . . 0.0 110.825 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -61.14 -48.52 81.23 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.43 -0.794 . . . . 0.0 110.802 -177.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -124.1 9.36 8.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.648 -0.657 . . . . 0.0 111.27 179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 50.76 66.96 1.01 Allowed 'General case' 0 N--CA 1.506 2.333 0 O-C-N 121.203 -0.936 . . . . 0.0 111.028 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.084 HD12 HG22 ' A' ' 48' ' ' VAL . 44.4 mm -114.75 132.87 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 O-C-N 121.571 -0.706 . . . . 0.0 109.719 -179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.469 HD11 HG23 ' A' ' 25' ' ' ILE . 11.2 tp -123.1 125.08 44.5 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.651 -0.656 . . . . 0.0 110.314 -174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -100.37 127.52 46.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.82 -0.55 . . . . 0.0 109.917 174.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.4 mt -110.8 120.01 41.0 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.859 -0.526 . . . . 0.0 109.864 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.68 ' CG ' HG21 ' A' ' 26' ' ' THR . 32.8 mtp85 -99.83 120.86 40.42 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.661 -0.649 . . . . 0.0 109.819 176.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.462 HD13 ' HA2' ' A' ' 23' ' ' GLY . 57.5 tp -102.13 151.06 22.62 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.625 -0.672 . . . . 0.0 110.629 -172.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 -7.4 11.78 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.854 -0.529 . . . . 0.0 112.128 -170.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -86.76 30.94 0.7 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.086 -1.009 . . . . 0.0 110.846 175.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 58.08 29.09 17.29 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.075 -1.016 . . . . 0.0 110.339 177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 m -120.34 139.65 52.44 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.539 -0.726 . . . . 0.0 110.065 177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -127.56 142.36 51.39 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.725 -0.61 . . . . 0.0 110.135 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HD3' HD11 ' A' ' 47' ' ' ILE . 79.5 tttt -143.98 132.92 22.7 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.632 -0.668 . . . . 0.0 110.43 -179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -98.25 121.95 40.81 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.743 -0.598 . . . . 0.0 109.938 177.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.421 HD11 ' HD3' ' A' ' 45' ' ' LYS . 79.7 mt -129.08 131.09 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.701 -0.624 . . . . 0.0 109.49 -178.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.084 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.56 135.79 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.2 p -62.42 -24.67 67.54 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.614 -0.679 . . . . 0.0 111.406 -171.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -58.26 -26.12 62.55 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.956 -175.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -87.1 9.52 19.57 Favored 'General case' 0 N--CA 1.498 1.936 0 C-N-CA 119.81 -0.756 . . . . 0.0 111.33 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.861 HG23 ' CG2' ' A' ' 13' ' ' VAL . 85.5 mt -77.94 112.98 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 121.168 -0.958 . . . . 0.0 109.75 174.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -82.25 -39.49 22.94 Favored 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.051 171.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.515 ' O ' HG23 ' A' ' 13' ' ' VAL . 63.9 m-20 -151.95 145.31 24.76 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.997 -0.681 . . . . 0.0 110.848 -173.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 52' ' ' ILE . 14.3 mt -127.2 144.2 51.09 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.795 -0.565 . . . . 0.0 110.68 -177.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -146.94 158.34 43.89 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.652 -0.655 . . . . 0.0 109.86 170.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.462 HG12 HG12 ' A' ' 11' ' ' VAL . 75.7 mt -114.77 130.1 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.631 -0.668 . . . . 0.0 109.324 176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.9 mt -88.28 120.91 70.63 Favored Pre-proline 0 N--CA 1.497 1.903 0 O-C-N 121.595 -0.691 . . . . 0.0 110.025 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.35 141.52 51.78 Favored 'Trans proline' 0 N--CA 1.488 1.151 0 O-C-N 123.289 1.152 . . . . 0.0 110.321 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -66.36 -39.81 89.37 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.671 -0.643 . . . . 0.0 110.345 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -129.88 139.38 51.17 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.673 -0.642 . . . . 0.0 110.271 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 53.18 -161.46 0.11 Allowed 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.627 -0.671 . . . . 0.0 110.664 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.8 pt -118.05 160.08 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 121.516 -0.74 . . . . 0.0 110.265 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 30.6 ttm -95.24 124.9 52.21 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.711 -0.618 . . . . 0.0 110.142 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -68.18 -167.75 0.18 Allowed 'Trans proline' 0 N--CA 1.489 1.234 0 O-C-N 123.331 1.174 . . . . 0.0 110.25 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -88.63 144.69 26.13 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.654 -0.653 . . . . 0.0 110.176 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -104.03 136.0 44.49 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.729 -0.607 . . . . 0.0 110.181 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.28 -120.52 0.71 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -65.91 -36.85 84.54 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.735 -0.862 . . . . 0.0 110.301 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -95.3 148.49 22.36 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.642 -0.661 . . . . 0.0 110.239 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.0 m -95.02 155.08 39.44 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.683 -0.636 . . . . 0.0 110.166 -179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -68.07 154.09 73.41 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 O-C-N 123.599 1.315 . . . . 0.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.2 t -105.46 136.93 44.12 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.696 -0.627 . . . . 0.0 110.165 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.7 p -71.73 -34.64 69.72 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.765 -0.585 . . . . 0.0 110.196 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -119.82 112.45 19.25 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.659 -0.65 . . . . 0.0 110.239 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.8 m -125.97 140.77 52.35 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.621 -0.674 . . . . 0.0 110.148 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.426 HG22 ' HG3' ' A' ' 78' ' ' LYS . 24.2 m -132.98 132.47 41.96 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.621 -0.675 . . . . 0.0 110.191 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HG3' HG22 ' A' ' 77' ' ' THR . 64.5 mttm 53.31 40.72 31.73 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.614 -0.679 . . . . 0.0 110.991 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -97.44 121.27 39.15 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.633 -0.667 . . . . 0.0 110.147 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -142.86 138.49 30.31 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.632 -0.668 . . . . 0.0 110.122 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -66.11 -32.87 74.57 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.681 -0.637 . . . . 0.0 110.403 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.32 -33.15 73.8 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.624 -0.673 . . . . 0.0 110.282 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -104.92 179.73 4.19 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.621 -0.675 . . . . 0.0 110.228 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 3.6 m 64.49 -67.95 0.11 Allowed 'General case' 0 N--CA 1.507 2.383 0 O-C-N 122.008 -0.433 . . . . 0.0 110.895 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -140.44 161.91 36.58 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.354 -0.841 . . . . 0.0 110.308 -178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.4 t -143.02 152.65 42.15 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.711 -0.618 . . . . 0.0 110.148 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.8 p -111.19 146.01 37.66 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.643 -0.661 . . . . 0.0 110.23 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -100.68 -36.23 9.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.708 -0.62 . . . . 0.0 110.241 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -64.8 -34.75 79.09 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.684 -0.635 . . . . 0.0 110.504 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -96.96 136.89 36.89 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.594 -0.692 . . . . 0.0 110.235 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -122.93 95.67 4.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.746 -0.596 . . . . 0.0 110.088 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 87.4 p -89.68 -32.11 17.19 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.684 -0.635 . . . . 0.0 110.525 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 89.0 mmm -120.69 149.29 42.74 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.637 -0.665 . . . . 0.0 110.256 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -94.24 132.89 38.35 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.742 -0.599 . . . . 0.0 110.155 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.3 p -160.6 33.6 0.16 Allowed 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.669 -0.644 . . . . 0.0 110.353 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -136.45 132.5 35.48 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.696 -0.627 . . . . 0.0 110.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -110.62 144.73 39.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.672 -0.642 . . . . 0.0 110.009 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -102.01 154.88 18.56 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.698 -0.626 . . . . 0.0 110.14 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -103.03 127.47 50.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.734 -0.604 . . . . 0.0 110.244 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -128.13 -38.69 1.78 Allowed 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.706 -0.621 . . . . 0.0 110.62 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' O ' HD21 ' A' ' 105' ' ' LEU . 26.9 m-85 -99.52 131.14 45.72 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.482 -0.761 . . . . 0.0 110.227 177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.9 -32.67 73.31 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.716 -0.615 . . . . 0.0 110.444 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.07 176.05 5.28 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.59 -0.694 . . . . 0.0 110.404 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 52.2 t30 55.01 35.59 25.01 Favored 'General case' 0 N--CA 1.505 2.313 0 O-C-N 121.589 -0.694 . . . . 0.0 110.963 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 101' ' ' PHE . 84.9 mt -93.43 -57.52 2.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.613 -0.68 . . . . 0.0 110.142 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -67.5 -32.54 73.42 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.688 -0.633 . . . . 0.0 110.562 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -86.73 137.89 32.08 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.671 -0.643 . . . . 0.0 110.206 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -120.66 161.88 20.63 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.698 -0.626 . . . . 0.0 110.422 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.64 37.06 25.17 Favored 'General case' 0 N--CA 1.506 2.327 0 O-C-N 121.656 -0.653 . . . . 0.0 110.992 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -75.65 -51.58 12.47 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.227 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -100.45 140.91 34.04 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.719 -0.613 . . . . 0.0 110.296 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -137.8 166.18 24.64 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.661 -0.649 . . . . 0.0 110.252 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.4 t -100.47 141.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.721 -0.612 . . . . 0.0 109.588 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.33 129.45 42.46 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.616 -0.677 . . . . 0.0 110.36 -178.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -152.0 163.44 39.29 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.778 -0.576 . . . . 0.0 110.055 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -89.72 122.08 32.49 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.611 -0.681 . . . . 0.0 110.003 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -112.85 135.07 54.02 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.712 -0.617 . . . . 0.0 110.244 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -66.79 -35.02 79.11 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.585 -0.697 . . . . 0.0 110.224 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 55.69 -84.28 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.354 0 O-C-N 122.026 -0.421 . . . . 0.0 111.3 -178.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -112.82 145.28 40.91 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.137 -0.977 . . . . 0.0 110.126 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.241 -179.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 53.09 31.66 11.66 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.671 -0.9 . . . . 0.0 111.054 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -63.16 -35.12 79.24 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.571 -0.706 . . . . 0.0 110.634 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -156.81 -47.05 0.01 OUTLIER Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.9 mtm -97.77 -177.01 3.63 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.693 -0.887 . . . . 0.0 110.203 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -109.92 152.59 25.63 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.654 -0.654 . . . . 0.0 110.361 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -66.2 -29.49 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.699 -0.625 . . . . 0.0 110.147 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.01 -29.35 69.66 Favored 'General case' 0 N--CA 1.502 2.158 0 O-C-N 121.485 -0.759 . . . . 0.0 110.709 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -64.41 -38.35 90.72 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.562 -0.711 . . . . 0.0 110.305 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -76.81 -24.84 52.78 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.751 -0.593 . . . . 0.0 110.643 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -61.06 129.04 39.39 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.417 -0.802 . . . . 0.0 110.407 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.2 1.3 81.85 Favored Glycine 0 N--CA 1.494 2.551 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.461 ' OG ' HD12 ' A' ' 25' ' ' ILE . 69.5 p -87.18 149.59 24.53 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.102 -1.234 . . . . 0.0 110.008 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.2 m120 -95.7 114.8 26.58 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.602 -0.686 . . . . 0.0 109.916 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 26.8 m -130.67 159.59 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 121.81 -0.556 . . . . 0.0 109.651 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -118.69 146.08 44.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.516 -0.74 . . . . 0.0 109.424 173.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.87 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.6 p -133.48 142.51 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 O-C-N 121.69 -0.631 . . . . 0.0 109.853 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.11 136.1 33.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.129 -1.028 . . . . 0.0 109.198 168.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.63 174.7 8.71 Favored 'General case' 0 N--CA 1.49 1.529 0 C-N-CA 119.687 -0.805 . . . . 0.0 109.823 175.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -57.22 -20.76 29.12 Favored 'General case' 0 N--CA 1.506 2.373 0 O-C-N 121.716 -0.615 . . . . 0.0 111.589 -175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -94.57 23.28 5.43 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.393 -0.817 . . . . 0.0 110.984 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 58.31 26.16 13.64 Favored 'General case' 0 N--CA 1.506 2.363 0 O-C-N 121.341 -0.85 . . . . 0.0 110.739 175.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -100.66 144.05 30.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.495 -0.753 . . . . 0.0 109.179 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 14' ' ' LEU . 9.9 ptpp? -109.83 143.69 39.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.6 -0.688 . . . . 0.0 110.922 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.4 143.12 33.77 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.82 -0.55 . . . . 0.0 109.976 174.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.569 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.2 ptt85 -137.05 144.81 43.39 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.565 -178.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -171.96 44.18 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.495 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.5 t -93.07 134.7 30.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 92.8 mt -75.07 139.54 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.611 -0.681 . . . . 0.0 110.031 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.711 HG21 ' HB2' ' A' ' 38' ' ' ARG . 33.8 p -125.16 -36.12 2.55 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.616 -0.678 . . . . 0.0 111.522 -179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -137.45 147.63 45.49 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.206 -0.933 . . . . 0.0 111.073 -173.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -149.1 129.84 14.14 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.862 -0.524 . . . . 0.0 109.608 173.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -122.05 122.3 38.96 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.632 -0.667 . . . . 0.0 109.998 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.78 -25.7 63.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.843 -0.536 . . . . 0.0 110.923 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.2 t -60.99 -49.42 77.5 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.48 -0.762 . . . . 0.0 110.844 -177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -124.02 10.11 8.78 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.509 -0.744 . . . . 0.0 111.263 179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m 51.15 67.02 1.01 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.239 -0.913 . . . . 0.0 110.989 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.065 HD12 HG22 ' A' ' 48' ' ' VAL . 44.5 mm -114.88 133.83 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.512 -0.743 . . . . 0.0 109.716 -179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.4 tp -124.51 125.69 44.64 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.697 -0.627 . . . . 0.0 110.324 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -101.68 129.75 47.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.813 -0.554 . . . . 0.0 109.83 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.87 119.96 40.81 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.868 -0.52 . . . . 0.0 110.002 178.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.711 ' HB2' HG21 ' A' ' 26' ' ' THR . 59.8 ttp180 -97.04 124.2 40.97 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.719 -0.613 . . . . 0.0 109.768 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.5 tp -102.03 145.74 28.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.733 -0.604 . . . . 0.0 110.841 -173.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.79 -10.31 19.35 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.92 -0.487 . . . . 0.0 111.78 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -86.26 30.89 0.67 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.143 -0.973 . . . . 0.0 111.044 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.6 t70 61.09 27.56 17.37 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 120.993 -1.067 . . . . 0.0 110.545 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.0 m -119.7 140.09 51.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.398 -0.813 . . . . 0.0 110.036 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -129.24 144.05 51.08 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.632 -0.668 . . . . 0.0 110.202 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -143.98 142.09 30.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.671 -0.643 . . . . 0.0 110.557 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.3 p -110.31 119.37 39.0 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.821 -0.549 . . . . 0.0 109.801 176.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.2 mt -129.53 132.07 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.624 -0.672 . . . . 0.0 109.534 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.065 HG22 HD12 ' A' ' 34' ' ' ILE . 38.6 t -72.43 137.26 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.632 -0.668 . . . . 0.0 109.276 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 63.7 p -63.09 -24.64 68.0 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.576 -0.703 . . . . 0.0 111.376 -172.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -58.48 -25.11 61.95 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.324 -0.86 . . . . 0.0 110.866 -175.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.73 11.9 16.37 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.447 -0.783 . . . . 0.0 111.282 175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.87 HG23 ' CG2' ' A' ' 13' ' ' VAL . 95.0 mt -77.73 112.91 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.149 0 O-C-N 121.23 -0.919 . . . . 0.0 109.705 172.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -80.6 -39.0 28.3 Favored 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.085 171.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.588 ' O ' HG23 ' A' ' 13' ' ' VAL . 60.5 m-20 -153.65 150.92 29.1 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.787 -175.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -130.05 144.26 51.24 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.629 -0.669 . . . . 0.0 110.868 -176.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -148.21 159.05 44.35 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.689 -0.632 . . . . 0.0 109.968 172.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.584 HG12 HG12 ' A' ' 11' ' ' VAL . 81.1 mt -113.08 130.03 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.637 -0.664 . . . . 0.0 109.31 175.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 90.8 mt -77.02 154.95 82.83 Favored Pre-proline 0 N--CA 1.499 1.997 0 O-C-N 121.598 -0.689 . . . . 0.0 110.2 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -61.63 142.6 95.03 Favored 'Trans proline' 0 N--CA 1.49 1.28 0 O-C-N 123.546 1.287 . . . . 0.0 110.783 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt -98.61 -65.77 0.94 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.664 -0.647 . . . . 0.0 110.356 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -80.91 -27.19 36.3 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.636 -0.665 . . . . 0.0 110.898 -177.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.26 -31.33 71.89 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.489 -0.757 . . . . 0.0 110.585 -178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.5 mt -103.81 134.64 44.49 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.586 -0.697 . . . . 0.0 109.608 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.6 ttp -101.36 117.19 62.57 Favored Pre-proline 0 N--CA 1.494 1.77 0 O-C-N 121.7 -0.625 . . . . 0.0 110.13 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -63.68 143.8 87.82 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 O-C-N 123.329 1.173 . . . . 0.0 110.581 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -65.05 -33.26 75.62 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.697 -0.627 . . . . 0.0 110.431 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 p-10 -136.63 -172.09 3.08 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.698 . . . . 0.0 110.461 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.83 -165.35 29.43 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.4 m -116.96 140.12 49.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.55 -0.971 . . . . 0.0 110.207 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -101.21 142.02 33.25 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.733 -0.605 . . . . 0.0 110.153 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.9 m -143.05 152.38 58.2 Favored Pre-proline 0 N--CA 1.495 1.776 0 O-C-N 121.595 -0.691 . . . . 0.0 110.238 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -69.51 145.97 60.29 Favored 'Trans proline' 0 N--CA 1.488 1.16 0 O-C-N 123.622 1.328 . . . . 0.0 110.272 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -132.14 128.67 38.57 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.685 -0.634 . . . . 0.0 110.251 178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 44.2 p -147.19 31.03 0.93 Allowed 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.708 -0.62 . . . . 0.0 110.323 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -119.95 33.33 5.65 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.568 -0.708 . . . . 0.0 110.293 -178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -109.77 148.92 30.58 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.6 -0.687 . . . . 0.0 110.152 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.5 m -125.94 139.24 53.61 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.744 -0.598 . . . . 0.0 110.216 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 73.2 mttt -120.33 145.43 47.12 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.787 -0.571 . . . . 0.0 110.199 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.94 117.78 33.05 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.646 -0.659 . . . . 0.0 109.993 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -139.97 158.56 43.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.716 -0.615 . . . . 0.0 110.149 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 t -63.74 -33.0 74.69 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.584 -0.697 . . . . 0.0 110.374 179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.98 -32.76 74.21 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.648 -0.657 . . . . 0.0 110.332 179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -99.51 151.93 20.58 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.587 -0.696 . . . . 0.0 110.11 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 70.1 p 44.4 82.65 0.03 OUTLIER 'General case' 0 N--CA 1.51 2.56 0 CA-C-O 121.103 0.478 . . . . 0.0 111.662 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -65.98 -39.03 90.0 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.668 -0.645 . . . . 0.0 110.406 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.3 t -115.42 139.22 50.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.647 -0.658 . . . . 0.0 110.344 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.0 t -88.43 -28.45 20.89 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.745 -0.597 . . . . 0.0 110.458 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 58.6 mttm -61.04 -29.23 69.6 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.564 -0.71 . . . . 0.0 110.758 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.3 m120 54.28 50.02 17.28 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.499 -0.751 . . . . 0.0 110.671 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -61.05 -31.15 70.81 Favored 'General case' 0 N--CA 1.503 2.195 0 O-C-N 121.525 -0.734 . . . . 0.0 110.637 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -85.73 151.61 23.71 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.625 -0.672 . . . . 0.0 110.281 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.4 p 50.25 53.87 12.11 Favored 'General case' 0 N--CA 1.506 2.371 0 CA-C-O 121.237 0.541 . . . . 0.0 111.418 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.83 -66.05 0.96 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.547 -0.721 . . . . 0.0 110.097 178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -108.93 132.97 53.55 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.624 -0.673 . . . . 0.0 110.17 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.9 m -135.34 115.0 12.77 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.691 -0.631 . . . . 0.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -97.5 105.43 17.57 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.725 -0.61 . . . . 0.0 110.276 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -133.06 145.96 51.25 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.729 -0.607 . . . . 0.0 110.095 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -122.28 128.25 50.86 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.623 -0.673 . . . . 0.0 110.161 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -111.88 129.66 56.09 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.686 -0.634 . . . . 0.0 110.234 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -103.76 153.21 20.96 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.695 -0.628 . . . . 0.0 110.204 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -102.29 131.47 48.86 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.677 -0.64 . . . . 0.0 110.179 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -104.94 143.94 32.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.678 -0.639 . . . . 0.0 110.303 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -139.64 -57.96 0.57 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.744 -0.597 . . . . 0.0 110.18 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -66.1 -35.2 79.86 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.755 -0.59 . . . . 0.0 110.305 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 105' ' ' LEU . 6.3 mp -99.88 142.43 31.37 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.737 -0.602 . . . . 0.0 110.259 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -107.38 152.26 24.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.758 -0.589 . . . . 0.0 110.13 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -91.5 137.03 32.69 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.705 -0.622 . . . . 0.0 110.106 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -105.17 133.34 50.1 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.65 -0.656 . . . . 0.0 110.286 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -142.16 -47.01 0.35 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.696 -0.627 . . . . 0.0 110.209 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -85.52 154.36 21.82 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.67 -0.644 . . . . 0.0 110.106 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.53 -33.27 72.42 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.583 -0.698 . . . . 0.0 110.547 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 58.12 166.92 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.774 -0.579 . . . . 0.0 111.006 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 10.8 p -125.07 143.68 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.498 -0.752 . . . . 0.0 110.104 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -63.09 -32.3 73.65 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.735 -0.603 . . . . 0.0 110.873 -175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.73 -30.16 68.63 Favored 'General case' 0 N--CA 1.503 2.224 0 O-C-N 121.567 -0.708 . . . . 0.0 110.881 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -119.63 141.82 48.98 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.574 -0.704 . . . . 0.0 110.162 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -146.2 159.02 43.89 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.67 -0.644 . . . . 0.0 110.34 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -138.9 32.11 2.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.732 -0.605 . . . . 0.0 110.327 179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.87 -34.36 77.63 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.574 -0.704 . . . . 0.0 110.274 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -134.07 132.64 40.22 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.666 -0.646 . . . . 0.0 110.174 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 . . . . . 0 N--CA 1.495 1.8 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.215 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.74 32.39 3.92 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.682 -0.893 . . . . 0.0 110.29 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 89.2 mtp -65.07 -35.14 80.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.57 -0.706 . . . . 0.0 110.347 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 77.7 33.54 42.15 Favored Glycine 0 N--CA 1.494 2.538 0 N-CA-C 109.752 -1.339 . . . . 0.0 109.752 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt -133.54 144.92 49.67 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.589 -0.948 . . . . 0.0 110.172 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 m -127.82 149.56 50.22 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.659 -0.651 . . . . 0.0 110.247 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.6 -30.31 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.084 0 O-C-N 121.689 -0.632 . . . . 0.0 110.075 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.28 68.97 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.495 -0.753 . . . . 0.0 110.766 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -63.79 -39.75 95.0 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.577 -0.702 . . . . 0.0 110.417 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -83.22 -30.42 27.72 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.751 -0.593 . . . . 0.0 110.394 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -67.02 132.76 48.55 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.545 -0.722 . . . . 0.0 110.166 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.81 -0.36 89.53 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.8 t -87.15 143.22 27.4 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.148 -1.207 . . . . 0.0 110.182 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -91.75 114.9 27.56 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.625 -0.672 . . . . 0.0 109.888 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 25' ' ' ILE . 27.2 m -130.93 162.0 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.735 -0.603 . . . . 0.0 109.693 178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.571 ' HB2' HD11 ' A' ' 58' ' ' LEU . 37.1 tt0 -118.65 146.07 44.97 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.551 -0.718 . . . . 0.0 109.439 174.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.866 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.0 p -133.74 143.39 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.612 -0.68 . . . . 0.0 109.702 177.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.749 HD22 ' CG ' ' A' ' 20' ' ' LYS . 2.5 mt -96.9 136.09 37.96 Favored 'General case' 0 N--CA 1.494 1.729 0 C-N-CA 118.951 -1.1 . . . . 0.0 109.325 168.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.0 mt -82.52 177.5 8.69 Favored 'General case' 0 N--CA 1.492 1.63 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.928 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -58.29 -21.47 49.08 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.72 -0.613 . . . . 0.0 111.53 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -103.08 27.47 7.12 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.444 -0.785 . . . . 0.0 111.11 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 58.66 26.01 14.02 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.29 -0.882 . . . . 0.0 110.87 172.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.43 133.06 42.52 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 169.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.749 ' CG ' HD22 ' A' ' 14' ' ' LEU . 1.9 mptt -109.79 137.25 47.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.573 -0.704 . . . . 0.0 110.642 -170.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.09 150.13 40.79 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 109.946 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.551 ' O ' HD13 ' A' ' 39' ' ' LEU . 30.9 ptt180 -141.41 149.9 41.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.6 -0.687 . . . . 0.0 110.588 -178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.82 -173.33 45.61 Favored Glycine 0 N--CA 1.495 2.599 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -91.31 138.54 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.549 -0.971 . . . . 0.0 109.759 -177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 11' ' ' VAL . 83.8 mt -79.1 139.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 121.653 -0.654 . . . . 0.0 109.925 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.6 p -125.11 -36.04 2.57 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.706 -0.621 . . . . 0.0 111.484 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -138.16 148.77 45.23 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.129 -0.982 . . . . 0.0 111.121 -173.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -149.11 130.71 14.92 Favored 'General case' 0 N--CA 1.494 1.77 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -122.08 123.66 42.11 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.724 -0.61 . . . . 0.0 109.922 -176.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.7 p -74.24 -29.17 61.58 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.826 -0.546 . . . . 0.0 110.789 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -63.82 -42.67 97.6 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.576 -0.702 . . . . 0.0 110.716 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -123.97 4.87 8.67 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.656 -0.652 . . . . 0.0 111.441 -179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.7 m 51.48 67.06 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.323 -0.861 . . . . 0.0 110.937 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.054 HD12 HG22 ' A' ' 48' ' ' VAL . 46.6 mm -117.68 134.76 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.578 -0.701 . . . . 0.0 109.626 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.8 tp -125.39 122.78 37.72 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.811 -0.556 . . . . 0.0 110.211 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -96.99 128.67 44.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.765 -0.584 . . . . 0.0 109.824 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 25' ' ' ILE . 94.8 mt -110.85 119.98 40.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.877 -0.515 . . . . 0.0 109.855 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.4 ttt180 -98.7 124.67 43.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.768 -0.583 . . . . 0.0 109.782 177.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 22' ' ' ARG . 26.4 tp -102.04 148.91 24.8 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.652 -0.655 . . . . 0.0 110.87 -174.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.42 -8.7 14.35 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.94 -0.475 . . . . 0.0 111.838 -173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -86.1 30.58 0.67 Allowed 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.15 -0.969 . . . . 0.0 111.0 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 60.84 27.54 17.34 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.985 -1.072 . . . . 0.0 110.618 177.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -121.41 139.05 53.95 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -0.798 . . . . 0.0 110.098 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -132.02 140.07 48.8 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.662 -0.649 . . . . 0.0 110.207 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' A' ' 47' ' ' ILE . 38.4 ttpt -144.08 142.03 30.4 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.73 -0.606 . . . . 0.0 110.354 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.5 p -98.3 125.77 43.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.738 -0.601 . . . . 0.0 110.049 178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.576 HD11 ' HE3' ' A' ' 45' ' ' LYS . 80.1 mt -129.15 133.45 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.64 -0.662 . . . . 0.0 109.494 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.054 HG22 HD12 ' A' ' 34' ' ' ILE . 40.6 t -77.93 137.0 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.629 -0.669 . . . . 0.0 109.276 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -64.21 -24.62 67.74 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.643 -0.66 . . . . 0.0 111.375 -172.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -57.7 -25.23 60.01 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.211 -0.931 . . . . 0.0 111.062 -175.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -86.98 9.17 20.33 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.527 -0.733 . . . . 0.0 111.328 176.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.866 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.5 mt -78.9 112.89 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.161 -0.962 . . . . 0.0 109.843 174.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -85.03 -37.77 19.98 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.304 171.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.562 ' O ' HG23 ' A' ' 13' ' ' VAL . 9.5 m-20 -150.13 145.75 26.5 Favored 'General case' 0 N--CA 1.503 2.212 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.926 -175.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.64 HD11 HG21 ' A' ' 52' ' ' ILE . 15.4 mt -128.02 144.19 51.1 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.745 -0.597 . . . . 0.0 110.96 -176.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -147.56 159.01 44.23 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.746 -0.596 . . . . 0.0 109.884 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.476 HG12 HG12 ' A' ' 11' ' ' VAL . 81.4 mt -113.48 130.06 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.545 -0.722 . . . . 0.0 109.427 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 12' ' ' GLU . 44.9 mt -90.01 150.76 44.16 Favored Pre-proline 0 N--CA 1.498 1.933 0 O-C-N 121.635 -0.666 . . . . 0.0 110.163 -173.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -71.0 -50.95 0.3 Allowed 'Trans proline' 0 N--CA 1.487 1.116 0 O-C-N 123.599 1.315 . . . . 0.0 110.198 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.6 tttt 53.01 90.45 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.622 -0.674 . . . . 0.0 111.035 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -142.88 169.93 16.65 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.694 -0.629 . . . . 0.0 110.351 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -135.91 142.05 44.61 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.646 -0.659 . . . . 0.0 110.295 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.9 tp -130.66 138.74 52.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 121.679 -0.638 . . . . 0.0 110.07 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 18.4 mmt -114.42 154.33 46.5 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.628 -0.67 . . . . 0.0 110.192 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -69.57 124.43 11.15 Favored 'Trans proline' 0 N--CA 1.487 1.129 0 O-C-N 123.683 1.36 . . . . 0.0 110.218 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -67.56 -37.41 82.63 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.647 -0.658 . . . . 0.0 110.335 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -140.82 -178.47 5.56 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.698 -0.626 . . . . 0.0 110.248 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.66 -134.6 14.81 Favored Glycine 0 N--CA 1.494 2.532 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.5 t -130.92 166.51 20.78 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.707 -0.878 . . . . 0.0 110.353 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -87.07 138.87 31.12 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.638 -0.664 . . . . 0.0 110.24 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 m -135.46 167.7 21.11 Favored Pre-proline 0 N--CA 1.495 1.799 0 O-C-N 121.678 -0.639 . . . . 0.0 110.112 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -64.32 146.39 89.92 Favored 'Trans proline' 0 N--CA 1.49 1.279 0 O-C-N 123.64 1.337 . . . . 0.0 110.419 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 m -116.31 151.19 36.36 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.639 -0.663 . . . . 0.0 110.301 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.9 m -94.02 141.46 28.5 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.689 -0.632 . . . . 0.0 110.152 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -137.52 -167.04 2.05 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.689 -0.632 . . . . 0.0 110.368 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.6 t -61.3 -32.11 71.95 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.639 -0.663 . . . . 0.0 110.843 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.9 t -128.32 153.08 47.4 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.655 -0.653 . . . . 0.0 110.447 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -119.97 155.89 31.92 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.712 -0.618 . . . . 0.0 110.191 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.4 mt -96.08 21.46 8.76 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.714 -0.616 . . . . 0.0 110.876 179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -64.78 -33.28 75.6 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.316 -0.865 . . . . 0.0 110.371 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.3 m -62.59 -32.33 73.31 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.651 -0.656 . . . . 0.0 110.615 -179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.97 84.3 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 121.618 -0.676 . . . . 0.0 110.285 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -141.13 130.38 23.55 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.765 -0.584 . . . . 0.0 110.067 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 t -157.94 33.75 0.25 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.725 -0.609 . . . . 0.0 110.454 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -113.89 105.79 13.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.657 -0.652 . . . . 0.0 110.182 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -162.74 110.58 1.29 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.652 -0.655 . . . . 0.0 110.165 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.0 p -146.48 152.69 39.41 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.64 -0.662 . . . . 0.0 110.263 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -100.07 -61.16 1.4 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.601 -0.687 . . . . 0.0 110.092 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -108.88 155.49 20.76 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.7 -0.625 . . . . 0.0 110.114 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -63.48 -36.21 83.01 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.637 -0.665 . . . . 0.0 110.43 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -112.92 131.93 55.53 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.738 -0.601 . . . . 0.0 110.167 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.0 t -154.63 33.93 0.41 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.674 -0.641 . . . . 0.0 110.315 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.7 mtm -112.12 149.75 31.72 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.201 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -90.81 141.6 28.64 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.685 -0.635 . . . . 0.0 110.107 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 7.4 t -98.92 36.24 1.73 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.702 -0.624 . . . . 0.0 110.339 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 52.4 -175.84 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.476 -0.765 . . . . 0.0 111.125 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -112.54 151.65 29.75 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.629 -0.669 . . . . 0.0 110.169 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.57 -36.05 82.98 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.607 -0.683 . . . . 0.0 110.347 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.25 131.63 53.26 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.654 -0.654 . . . . 0.0 110.163 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -129.26 118.35 22.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.719 -0.613 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -104.23 130.03 52.02 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.693 -0.629 . . . . 0.0 110.12 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.55 -64.0 1.08 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.685 -0.635 . . . . 0.0 110.284 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.425 ' HB1' ' HG3' ' A' ' 106' ' ' GLU . . . -152.56 156.57 39.59 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.615 -0.678 . . . . 0.0 110.273 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -66.31 -46.18 77.81 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.681 -0.637 . . . . 0.0 110.334 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 tp -166.48 32.74 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.73 -0.606 . . . . 0.0 110.228 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.425 ' HG3' ' HB1' ' A' ' 103' ' ' ALA . 77.2 mt-10 -66.87 -33.61 75.98 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.544 -0.723 . . . . 0.0 110.397 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -128.63 132.6 48.13 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.63 -0.669 . . . . 0.0 110.084 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -154.12 35.4 0.43 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.655 -0.653 . . . . 0.0 110.386 -179.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -65.28 -33.6 76.37 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.516 -0.74 . . . . 0.0 110.353 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -80.15 126.36 31.0 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.732 -0.605 . . . . 0.0 110.122 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -116.62 144.49 44.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.679 -0.638 . . . . 0.0 110.304 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -113.29 142.94 45.24 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.693 -0.629 . . . . 0.0 110.021 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -131.55 156.91 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 121.667 -0.646 . . . . 0.0 110.283 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -67.45 -34.09 76.49 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.729 -0.607 . . . . 0.0 110.239 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 53.21 31.01 10.78 Favored 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.616 -0.678 . . . . 0.0 111.08 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -110.82 134.87 52.16 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.639 -0.663 . . . . 0.0 110.068 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -124.37 -45.33 1.96 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.642 -0.661 . . . . 0.0 110.115 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -125.93 137.17 53.69 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.7 -0.625 . . . . 0.0 110.178 179.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -88.17 -47.77 8.21 Favored 'General case' 0 N--CA 1.497 1.925 0 O-C-N 121.675 -0.641 . . . . 0.0 110.221 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 53.16 42.44 32.16 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.593 -0.692 . . . . 0.0 110.86 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 . . . . . 0 N--CA 1.496 1.872 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.373 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.62 149.72 25.29 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.633 -0.922 . . . . 0.0 110.145 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 53.8 ttp -65.2 -35.34 80.76 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.63 -0.669 . . . . 0.0 110.356 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 166.91 -161.26 35.09 Favored Glycine 0 N--CA 1.492 2.43 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt -90.52 148.6 22.62 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.76 -0.847 . . . . 0.0 110.093 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -118.22 150.2 39.81 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.611 -0.681 . . . . 0.0 110.412 -178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -67.3 -30.33 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 O-C-N 121.734 -0.604 . . . . 0.0 110.07 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.56 68.44 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.49 -0.756 . . . . 0.0 110.746 -178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.44 -38.64 91.91 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.578 -0.701 . . . . 0.0 110.345 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.502 ' O ' HD12 ' A' ' 25' ' ' ILE . 96.8 m-85 -69.19 -33.06 72.76 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.613 -0.679 . . . . 0.0 110.103 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.04 125.5 24.22 Favored 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.664 -0.648 . . . . 0.0 110.024 177.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.41 0.95 90.28 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -177.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.3 t -87.15 148.75 25.06 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.163 -1.199 . . . . 0.0 110.021 176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -93.29 114.89 27.45 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.549 -0.719 . . . . 0.0 109.99 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 57' ' ' ILE . 27.1 m -132.16 163.69 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -118.67 146.08 44.97 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.529 -0.732 . . . . 0.0 109.652 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.798 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.07 142.78 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.655 -0.653 . . . . 0.0 109.809 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.6 mt -93.68 135.99 34.41 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.346 166.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.88 174.07 9.54 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 119.704 -0.799 . . . . 0.0 109.888 174.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -58.01 -21.05 43.15 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.695 -0.628 . . . . 0.0 111.545 -176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 p30 -96.88 25.34 5.37 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.493 -0.754 . . . . 0.0 111.031 -177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 59.72 26.66 15.8 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 121.269 -0.894 . . . . 0.0 110.979 171.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 p -102.11 141.59 34.71 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.41 -0.807 . . . . 0.0 109.299 169.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.523 ' HB3' HD22 ' A' ' 14' ' ' LEU . 19.5 pttp -109.93 139.07 45.44 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.53 -0.731 . . . . 0.0 110.863 -175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.06 150.91 41.87 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.808 -0.557 . . . . 0.0 109.978 175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HB2' HD11 ' A' ' 58' ' ' LEU . 33.6 ptt180 -137.75 155.93 48.53 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.517 -0.739 . . . . 0.0 110.49 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.67 179.56 48.51 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 176.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.97 132.08 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.74 -0.859 . . . . 0.0 109.283 177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 6' ' ' PHE . 60.4 mt -65.45 135.32 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.994 0 O-C-N 121.631 -0.668 . . . . 0.0 110.27 -176.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.733 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.6 p -125.17 -14.69 6.48 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.907 -0.496 . . . . 0.0 111.677 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -158.04 151.54 23.47 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.938 -1.101 . . . . 0.0 111.081 174.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -149.09 133.66 17.69 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -122.01 119.31 31.07 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.755 -0.591 . . . . 0.0 109.978 -176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.7 t -68.37 -31.16 70.34 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.874 -0.516 . . . . 0.0 110.71 -178.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.1 t -61.14 -48.92 79.39 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.502 -0.749 . . . . 0.0 110.875 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -123.95 14.98 9.26 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.507 -0.745 . . . . 0.0 111.264 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.0 p 46.95 67.16 0.83 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 121.571 -0.706 . . . . 0.0 111.643 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.033 HD12 HG22 ' A' ' 48' ' ' VAL . 44.7 mm -114.14 130.99 67.38 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.46 -0.775 . . . . 0.0 109.482 -179.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 37' ' ' LEU . 11.2 tp -123.7 124.29 42.41 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.602 -0.686 . . . . 0.0 110.399 -173.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -96.91 126.91 42.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.791 -0.568 . . . . 0.0 109.55 172.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 35' ' ' LEU . 57.8 mt -111.07 126.4 54.78 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.748 -0.595 . . . . 0.0 110.083 179.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.733 ' HB2' HG21 ' A' ' 26' ' ' THR . 56.9 ttt85 -111.85 119.59 39.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.735 -0.603 . . . . 0.0 110.048 177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.43 HD13 ' HA2' ' A' ' 23' ' ' GLY . 66.4 tp -101.99 158.15 16.36 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 -173.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.82 -4.27 8.8 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.984 -0.447 . . . . 0.0 112.034 -171.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.63 29.79 0.77 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.094 -1.004 . . . . 0.0 110.806 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.45 17.5 Favored 'General case' 0 N--CA 1.505 2.307 0 O-C-N 121.151 -0.968 . . . . 0.0 110.294 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -123.95 137.83 54.56 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.528 -0.733 . . . . 0.0 110.134 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -130.59 148.63 52.41 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.708 -0.62 . . . . 0.0 110.201 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -143.49 142.01 30.99 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.642 -0.661 . . . . 0.0 110.681 -177.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.8 p -103.31 114.29 28.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.858 -0.526 . . . . 0.0 109.877 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.8 mt -129.13 132.19 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.669 -0.644 . . . . 0.0 109.529 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.033 HG22 HD12 ' A' ' 34' ' ' ILE . 38.1 t -71.63 136.94 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.331 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.422 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.1 p -63.26 -24.53 67.91 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.552 -0.718 . . . . 0.0 111.355 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -58.64 -25.3 62.6 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.229 -0.92 . . . . 0.0 110.968 -175.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -88.22 11.04 17.51 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.486 -0.759 . . . . 0.0 111.292 175.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.798 HG23 ' CG2' ' A' ' 13' ' ' VAL . 97.2 mt -75.16 112.99 13.38 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 O-C-N 121.205 -0.935 . . . . 0.0 109.747 173.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -80.05 -39.17 30.33 Favored 'General case' 0 N--CA 1.497 1.894 0 C-N-CA 119.967 -0.693 . . . . 0.0 109.947 171.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 61.0 m-20 -153.2 155.95 37.62 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 121.645 -0.659 . . . . 0.0 110.78 -175.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD11 HG21 ' A' ' 52' ' ' ILE . 14.6 mt -135.99 144.2 45.22 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.658 -0.651 . . . . 0.0 110.989 -176.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -148.81 159.21 44.37 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.74 -0.6 . . . . 0.0 109.629 172.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.571 HG12 HG12 ' A' ' 11' ' ' VAL . 79.6 mt -108.42 130.02 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.517 -0.74 . . . . 0.0 109.45 175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.448 HD11 ' HB2' ' A' ' 22' ' ' ARG . 41.9 mt -79.06 161.8 66.94 Favored Pre-proline 0 N--CA 1.497 1.902 0 O-C-N 121.596 -0.69 . . . . 0.0 110.159 -175.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -61.44 134.24 50.48 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 O-C-N 123.636 1.335 . . . . 0.0 110.769 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.0 tttm -146.62 -60.66 0.3 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.77 -0.581 . . . . 0.0 109.951 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -147.65 27.33 1.0 Allowed 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.807 -0.558 . . . . 0.0 110.624 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -93.16 -42.14 9.54 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.596 -0.69 . . . . 0.0 110.29 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.0 mt -116.41 135.42 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 121.7 -0.625 . . . . 0.0 109.677 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.1 tpt -98.43 138.53 20.82 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.735 -0.603 . . . . 0.0 109.993 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -65.88 150.93 85.39 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 O-C-N 123.41 1.216 . . . . 0.0 110.432 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.15 127.85 34.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.629 -0.669 . . . . 0.0 110.224 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -109.38 145.86 35.39 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.69 -0.631 . . . . 0.0 110.187 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -65.32 -34.16 88.67 Favored Glycine 0 N--CA 1.496 2.689 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.6 m -110.89 143.08 42.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.676 -0.896 . . . . 0.0 110.024 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -90.11 120.81 31.61 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.673 -0.642 . . . . 0.0 110.216 -179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.4 t -129.94 79.22 73.56 Favored Pre-proline 0 N--CA 1.495 1.812 0 O-C-N 121.739 -0.601 . . . . 0.0 110.053 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -66.64 142.91 66.15 Favored 'Trans proline' 0 N--CA 1.488 1.184 0 O-C-N 123.543 1.286 . . . . 0.0 110.408 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -130.01 -49.71 1.12 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.688 -0.633 . . . . 0.0 110.211 179.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.7 t -134.84 149.97 50.42 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.655 -0.653 . . . . 0.0 110.346 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -68.34 -38.6 81.65 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.71 -0.619 . . . . 0.0 110.292 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -157.33 169.76 24.01 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.691 -0.631 . . . . 0.0 110.21 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 39.9 p -119.64 151.96 37.85 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.646 -0.659 . . . . 0.0 110.233 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -143.1 140.89 31.06 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.762 -0.586 . . . . 0.0 110.168 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -93.86 135.25 35.38 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.684 -0.635 . . . . 0.0 110.167 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 tttp -97.38 -35.55 10.65 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.668 -0.645 . . . . 0.0 110.335 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 m -63.7 -34.25 77.45 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.693 -0.63 . . . . 0.0 110.528 -178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.57 -32.3 72.95 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.738 -0.602 . . . . 0.0 110.425 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -65.32 -32.77 74.6 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.6 -0.688 . . . . 0.0 110.489 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.1 p -113.52 163.11 15.34 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.629 -0.669 . . . . 0.0 110.261 -178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -112.28 -33.2 6.28 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.672 -0.642 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 97.0 p -132.52 160.1 37.51 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.739 -0.6 . . . . 0.0 110.196 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.9 m -116.2 151.22 36.15 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.671 -0.643 . . . . 0.0 110.263 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -91.05 128.12 36.75 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.652 -0.655 . . . . 0.0 110.271 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 54.05 31.43 13.66 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.599 -0.688 . . . . 0.0 111.078 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -135.17 96.96 3.6 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.623 -0.673 . . . . 0.0 110.045 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -162.02 -60.8 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.596 -0.69 . . . . 0.0 110.289 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.2 t -97.67 -37.01 10.07 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.556 -0.715 . . . . 0.0 110.386 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 8.3 tmm? -67.15 -42.26 84.64 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.648 -0.657 . . . . 0.0 110.33 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -109.92 148.37 31.7 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.657 -0.652 . . . . 0.0 110.21 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.3 t 52.78 94.43 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.637 -0.664 . . . . 0.0 111.021 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -71.47 174.88 6.02 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.624 -0.673 . . . . 0.0 110.308 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -102.94 145.4 29.9 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.636 -0.665 . . . . 0.0 110.2 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 52.02 -173.12 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.596 -0.69 . . . . 0.0 111.063 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -118.3 150.66 39.1 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.655 -0.653 . . . . 0.0 110.135 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -83.63 134.63 34.78 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.585 . . . . 0.0 110.144 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -104.21 136.96 42.84 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.68 -0.638 . . . . 0.0 110.179 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 52.7 32.61 12.28 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.592 -0.692 . . . . 0.0 111.009 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -99.07 148.87 23.6 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.756 -0.59 . . . . 0.0 110.177 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -95.97 104.63 16.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.693 -0.63 . . . . 0.0 110.258 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.78 139.8 39.03 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.643 -0.66 . . . . 0.0 110.208 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -104.8 134.65 47.58 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.668 -0.645 . . . . 0.0 110.098 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -106.44 133.93 50.37 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.751 -0.593 . . . . 0.0 110.138 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -74.11 -52.09 13.65 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.714 -0.616 . . . . 0.0 110.288 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -67.79 -37.7 82.37 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.691 -0.631 . . . . 0.0 110.432 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -101.39 144.42 30.22 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.593 -0.692 . . . . 0.0 110.417 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 tttt -129.8 138.06 50.84 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.742 -0.599 . . . . 0.0 109.983 178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 51.98 89.61 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.625 -0.672 . . . . 0.0 110.84 -178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -109.72 137.29 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.631 -0.668 . . . . 0.0 109.82 -178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -106.52 136.88 45.53 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.712 -0.618 . . . . 0.0 110.053 179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -158.29 -45.3 0.06 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.676 -0.64 . . . . 0.0 110.377 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.58 -32.7 74.46 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.625 -0.672 . . . . 0.0 110.462 -179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.78 129.09 54.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.689 -0.632 . . . . 0.0 110.162 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -95.88 -63.23 1.17 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.666 -0.647 . . . . 0.0 110.097 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -110.09 30.56 6.62 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.655 -0.653 . . . . 0.0 110.294 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -124.4 143.49 50.58 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.571 -0.706 . . . . 0.0 110.21 -179.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 N--CA 1.506 2.328 0 CA-C-O 117.863 -1.065 . . . . 0.0 111.084 -179.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.333 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.32 150.52 24.39 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.71 -0.876 . . . . 0.0 110.175 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 65.4 mtt -64.25 -34.83 79.02 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.662 -0.649 . . . . 0.0 110.446 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 163.28 129.32 1.02 Allowed Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -128.31 156.23 43.37 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.693 -0.886 . . . . 0.0 110.136 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m -120.44 152.55 37.81 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.68 -0.637 . . . . 0.0 110.185 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.45 -30.59 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.14 0 O-C-N 121.709 -0.62 . . . . 0.0 110.202 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.33 -31.8 71.67 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.506 -0.747 . . . . 0.0 110.72 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -64.23 -39.0 93.06 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.616 -0.677 . . . . 0.0 110.484 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -69.14 -33.59 73.68 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.665 -0.647 . . . . 0.0 110.148 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -68.74 130.6 43.3 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.671 -0.643 . . . . 0.0 109.891 177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.41 -0.24 89.31 Favored Glycine 0 N--CA 1.495 2.568 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 -176.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.8 t -87.31 144.75 26.64 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.213 -1.169 . . . . 0.0 110.127 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -93.64 114.9 27.33 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.644 -0.66 . . . . 0.0 109.947 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 25' ' ' ILE . 26.9 m -129.81 162.36 37.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.768 -0.583 . . . . 0.0 109.621 178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -118.63 146.03 44.98 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.517 -0.739 . . . . 0.0 109.491 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.864 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.5 p -133.87 143.13 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.486 -0.759 . . . . 0.0 109.757 177.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.719 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.6 mt -96.3 136.09 37.25 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.416 168.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.74 176.69 8.78 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.93 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -57.43 -21.89 39.74 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 121.725 -0.61 . . . . 0.0 111.592 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.0 p-10 -99.03 24.72 7.46 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.526 -0.734 . . . . 0.0 111.124 -176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.66 25.91 12.3 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 121.205 -0.934 . . . . 0.0 110.677 175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -96.71 132.99 41.82 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 170.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.719 ' HG2' HD22 ' A' ' 14' ' ' LEU . 58.5 mttt -109.69 137.03 48.1 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.391 -170.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.0 148.2 38.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.771 -0.58 . . . . 0.0 110.04 175.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.553 ' O ' HD13 ' A' ' 39' ' ' LEU . 34.4 ptt-85 -139.64 150.37 44.85 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.576 -0.702 . . . . 0.0 110.665 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.83 -173.52 45.78 Favored Glycine 0 N--CA 1.494 2.53 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.1 t -90.75 140.08 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.595 -0.944 . . . . 0.0 109.698 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.614 HD11 HG21 ' A' ' 11' ' ' VAL . 84.1 mt -80.45 139.48 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 O-C-N 121.653 -0.654 . . . . 0.0 109.964 -178.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.671 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.5 p -125.1 -36.07 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.669 -0.645 . . . . 0.0 111.509 -179.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -138.57 148.74 44.53 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.091 -1.006 . . . . 0.0 111.107 -173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -149.13 130.77 14.95 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 173.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -122.03 122.11 38.55 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.663 -0.648 . . . . 0.0 110.025 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -71.14 -26.17 62.89 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.784 -0.572 . . . . 0.0 110.878 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -61.68 -48.5 80.5 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 121.438 -0.789 . . . . 0.0 110.76 -176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -124.1 9.66 8.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.525 -0.734 . . . . 0.0 111.251 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.7 m 51.15 67.07 1.0 Allowed 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.193 -0.942 . . . . 0.0 111.001 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.056 HD12 HG22 ' A' ' 48' ' ' VAL . 45.8 mm -115.16 132.9 63.06 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.488 -0.757 . . . . 0.0 109.638 -179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.4 tp -124.29 122.91 39.03 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.721 -0.612 . . . . 0.0 110.261 -174.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -97.88 129.03 44.85 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 120.344 -0.543 . . . . 0.0 109.761 174.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 25' ' ' ILE . 59.9 mt -110.96 120.01 40.98 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.856 177.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.671 ' HB2' HG21 ' A' ' 26' ' ' THR . 70.8 ttt180 -96.81 125.28 41.14 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.81 -0.556 . . . . 0.0 109.715 176.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 22' ' ' ARG . 25.5 tp -102.01 152.17 21.28 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.662 -0.649 . . . . 0.0 110.852 -174.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.45 -9.41 12.54 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 121.998 -0.439 . . . . 0.0 111.871 -173.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -85.08 30.99 0.56 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.096 -1.002 . . . . 0.0 111.081 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 57.82 29.12 16.98 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 121.028 -1.045 . . . . 0.0 110.45 177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -122.98 139.25 54.27 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.495 -0.753 . . . . 0.0 110.076 178.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -130.28 141.36 50.61 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.656 -0.652 . . . . 0.0 110.179 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -144.04 142.06 30.45 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.673 -0.642 . . . . 0.0 110.334 -178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -97.59 126.47 42.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.69 -0.631 . . . . 0.0 110.237 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.0 mt -128.93 133.01 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.659 -0.651 . . . . 0.0 109.395 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.056 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -77.06 136.99 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.647 -0.658 . . . . 0.0 109.264 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -64.41 -24.56 67.67 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.615 -0.678 . . . . 0.0 111.363 -172.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -58.4 -25.05 61.67 Favored 'General case' 0 N--CA 1.503 2.213 0 O-C-N 121.262 -0.899 . . . . 0.0 110.891 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -87.36 9.2 21.34 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.477 -0.764 . . . . 0.0 111.303 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.864 HG23 ' CG2' ' A' ' 13' ' ' VAL . 86.3 mt -77.35 112.97 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 121.221 -0.924 . . . . 0.0 109.807 174.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -81.75 -39.63 23.88 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 120.051 -0.66 . . . . 0.0 110.109 171.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.9 m-20 -152.52 145.87 24.79 Favored 'General case' 0 N--CA 1.503 2.223 0 C-N-CA 120.001 -0.68 . . . . 0.0 110.84 -173.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD11 HG21 ' A' ' 52' ' ' ILE . 16.6 mt -126.83 144.2 51.04 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.785 -0.572 . . . . 0.0 110.913 -176.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.8 ptm85 -148.0 159.06 44.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.746 -0.596 . . . . 0.0 109.82 171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 HG12 ' A' ' 11' ' ' VAL . 76.9 mt -113.35 130.02 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.581 -0.699 . . . . 0.0 109.498 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 46.6 mt -84.21 155.73 63.44 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 121.631 -0.668 . . . . 0.0 110.005 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -67.01 118.48 5.6 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 O-C-N 123.633 1.333 . . . . 0.0 110.466 -178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -67.47 -33.16 74.56 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.66 -0.65 . . . . 0.0 110.342 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.24 36.17 21.94 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.606 -0.684 . . . . 0.0 110.872 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -68.4 -32.72 72.98 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.716 -0.615 . . . . 0.0 110.292 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.5 pt -63.25 -26.24 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 121.647 -0.658 . . . . 0.0 110.919 -178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 44.4 mtt -96.27 117.18 66.36 Favored Pre-proline 0 N--CA 1.496 1.831 0 O-C-N 121.515 -0.74 . . . . 0.0 110.045 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -67.43 -34.58 26.1 Favored 'Trans proline' 0 N--CA 1.488 1.2 0 O-C-N 123.327 1.172 . . . . 0.0 110.374 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -137.13 127.91 27.21 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.662 -0.649 . . . . 0.0 110.147 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.71 -36.0 82.36 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.694 -0.629 . . . . 0.0 110.358 179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 166.55 -91.48 0.1 Allowed Glycine 0 N--CA 1.494 2.523 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.7 t -132.45 154.06 50.24 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.658 -0.907 . . . . 0.0 110.32 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.21 137.58 45.0 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.693 -0.629 . . . . 0.0 110.279 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.8 m -139.71 161.3 57.24 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.709 -0.619 . . . . 0.0 110.134 179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -62.7 133.96 44.85 Favored 'Trans proline' 0 N--CA 1.491 1.333 0 O-C-N 123.609 1.321 . . . . 0.0 110.615 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.0 t -147.62 135.77 21.39 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.728 -0.608 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.8 p -129.35 158.43 39.15 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.701 -0.625 . . . . 0.0 110.246 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -158.7 128.68 5.84 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.592 -0.692 . . . . 0.0 110.246 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -123.93 140.9 52.53 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.633 -0.667 . . . . 0.0 110.28 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.9 m -131.88 139.06 48.67 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.739 -0.601 . . . . 0.0 110.011 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -115.11 122.22 45.45 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.667 -0.646 . . . . 0.0 110.209 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 81' ' ' SER . 1.5 tt -138.82 107.49 5.9 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.733 -0.605 . . . . 0.0 109.843 179.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.96 31.99 4.19 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.608 -0.682 . . . . 0.0 110.569 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.466 ' H ' HD23 ' A' ' 79' ' ' LEU . 32.3 t -65.37 -37.04 85.82 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.533 -0.729 . . . . 0.0 110.296 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.63 -32.7 72.75 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.606 -0.684 . . . . 0.0 110.241 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 52.84 85.19 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.55 -0.719 . . . . 0.0 110.968 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 9.9 t -141.47 161.61 37.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.656 -0.652 . . . . 0.0 110.393 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -71.38 143.22 50.26 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.747 -0.595 . . . . 0.0 110.074 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.6 t -138.53 150.88 46.83 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.689 -0.632 . . . . 0.0 110.145 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.0 m -63.92 -36.01 82.54 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.706 -0.621 . . . . 0.0 110.403 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -107.89 130.97 54.97 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.676 -0.64 . . . . 0.0 110.087 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -112.45 129.9 56.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.595 -0.691 . . . . 0.0 110.279 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -103.1 116.86 33.32 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.179 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -119.5 137.37 53.84 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.591 -0.693 . . . . 0.0 110.141 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.3 m -125.67 136.43 53.21 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.718 -0.614 . . . . 0.0 110.181 178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 83.7 mtp -146.49 -46.94 0.19 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.637 -0.664 . . . . 0.0 110.089 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -87.25 140.14 29.85 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.662 -0.649 . . . . 0.0 110.15 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 26.9 p -122.34 167.34 13.39 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.732 -0.605 . . . . 0.0 110.368 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -85.23 116.22 23.46 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.667 -0.646 . . . . 0.0 110.246 -178.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -108.02 143.07 37.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.789 -0.569 . . . . 0.0 110.098 179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -95.01 130.37 41.7 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.705 -0.622 . . . . 0.0 110.252 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -69.84 -44.4 69.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.687 -0.633 . . . . 0.0 110.257 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -65.66 -36.04 82.53 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.701 -0.624 . . . . 0.0 110.472 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.26 126.25 50.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.643 -0.66 . . . . 0.0 110.321 -178.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.13 152.02 23.9 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.689 -0.632 . . . . 0.0 110.084 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -150.78 150.32 30.85 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.71 -0.619 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 53.22 39.54 29.86 Favored 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.614 -0.679 . . . . 0.0 110.974 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.44 HD21 ' HE2' ' A' ' 107' ' ' LYS . 21.4 tp -107.05 123.67 48.54 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.601 -0.687 . . . . 0.0 110.17 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -124.8 129.91 51.36 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.664 -0.647 . . . . 0.0 110.12 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.44 ' HE2' HD21 ' A' ' 105' ' ' LEU . 55.4 mttm -134.98 135.51 41.47 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.676 -0.64 . . . . 0.0 110.169 179.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -104.97 21.79 16.43 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.699 -0.626 . . . . 0.0 110.869 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -67.48 -37.1 82.36 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.386 -0.821 . . . . 0.0 110.203 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 52.6 mttm -102.5 110.57 22.55 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.785 -0.572 . . . . 0.0 110.221 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -141.26 126.21 18.23 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.705 -0.622 . . . . 0.0 110.119 178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 52.33 90.88 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.563 -0.711 . . . . 0.0 110.984 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 114' ' ' PHE . 41.6 t 58.13 164.81 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.508 2.472 0 O-C-N 121.793 -0.567 . . . . 0.0 110.744 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' N ' HG12 ' A' ' 113' ' ' VAL . 83.0 t80 -100.77 135.1 42.75 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.501 -0.749 . . . . 0.0 110.24 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.6 160.95 28.97 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.708 -0.62 . . . . 0.0 110.15 179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 52.68 -175.24 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.534 -0.729 . . . . 0.0 110.981 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -123.16 156.06 35.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.744 -0.597 . . . . 0.0 110.274 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -69.79 153.5 43.26 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.72 -0.613 . . . . 0.0 110.107 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -93.45 138.9 31.3 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.682 -0.636 . . . . 0.0 110.129 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -132.66 37.38 3.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.647 -0.658 . . . . 0.0 110.446 -179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.222 -179.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -103.88 32.1 4.12 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.625 -0.926 . . . . 0.0 110.43 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.2 mtp -88.96 -63.98 1.21 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.637 -0.665 . . . . 0.0 110.196 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -88.82 -176.88 46.69 Favored Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.3 mtm 52.19 94.57 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.347 0 O-C-N 121.684 -0.892 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -114.85 150.36 35.65 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.629 -0.669 . . . . 0.0 110.257 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.3 t -67.3 -29.5 46.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.762 -0.586 . . . . 0.0 110.246 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.09 72.07 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.515 -0.74 . . . . 0.0 110.687 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.09 -40.03 94.01 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.671 -0.643 . . . . 0.0 110.369 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -75.48 -30.39 59.88 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.632 -0.668 . . . . 0.0 110.439 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -68.07 128.99 38.57 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.514 -0.741 . . . . 0.0 110.121 178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.02 -1.33 83.0 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' HD12 ' A' ' 25' ' ' ILE . 74.7 p -87.16 151.96 22.74 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.206 -1.173 . . . . 0.0 110.046 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.49 ' ND2' HG22 ' A' ' 24' ' ' VAL . 6.0 m120 -96.21 114.92 26.65 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.643 -0.661 . . . . 0.0 109.897 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.764 HG21 HD11 ' A' ' 25' ' ' ILE . 27.3 m -129.56 159.46 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.8 -0.562 . . . . 0.0 109.748 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -118.69 146.01 45.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.607 -0.683 . . . . 0.0 109.649 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.702 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.2 p -132.93 142.93 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.596 -0.69 . . . . 0.0 109.869 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -93.67 136.07 34.32 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.276 166.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.19 174.54 8.55 Favored 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 119.64 -0.824 . . . . 0.0 109.914 175.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.87 -20.73 24.59 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 121.626 -0.671 . . . . 0.0 111.594 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.2 p-10 -93.94 22.92 5.25 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.375 -0.828 . . . . 0.0 111.062 -178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 58.27 25.9 13.25 Favored 'General case' 0 N--CA 1.506 2.33 0 O-C-N 121.301 -0.874 . . . . 0.0 110.787 175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -101.43 145.11 29.39 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.583 -0.698 . . . . 0.0 109.184 170.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 14' ' ' LEU . 18.4 ptpt -109.88 144.15 38.77 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.615 -0.678 . . . . 0.0 110.906 -173.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.91 142.71 34.4 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.775 -0.578 . . . . 0.0 109.967 174.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 39' ' ' LEU . 44.3 ptt85 -137.15 144.35 42.92 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.552 -0.718 . . . . 0.0 110.556 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.8 -172.02 44.24 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG22 ' ND2' ' A' ' 10' ' ' ASN . 58.3 t -92.26 138.21 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.528 -0.983 . . . . 0.0 109.574 -178.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.764 HD11 HG21 ' A' ' 11' ' ' VAL . 91.0 mt -78.35 139.07 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.538 -0.726 . . . . 0.0 109.967 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.701 HG21 ' HB2' ' A' ' 38' ' ' ARG . 34.3 p -125.13 -36.14 2.56 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.667 -0.646 . . . . 0.0 111.575 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -136.97 148.05 46.69 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.092 -1.005 . . . . 0.0 111.099 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -149.16 130.51 14.69 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -122.08 122.0 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.675 -0.641 . . . . 0.0 110.104 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.6 p -70.79 -25.95 63.11 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.815 -0.553 . . . . 0.0 110.872 -179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -61.52 -49.31 77.23 Favored 'General case' 0 N--CA 1.503 2.181 0 O-C-N 121.423 -0.798 . . . . 0.0 110.848 -176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -123.99 10.37 8.83 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.564 -0.71 . . . . 0.0 111.342 179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m 51.25 67.01 1.01 Allowed 'General case' 0 N--CA 1.506 2.334 0 O-C-N 121.083 -1.011 . . . . 0.0 110.955 -178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.081 HD12 HG22 ' A' ' 48' ' ' VAL . 44.6 mm -114.32 133.47 60.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.582 -0.699 . . . . 0.0 109.671 -179.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.6 tp -124.56 125.49 44.27 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.646 -0.659 . . . . 0.0 110.227 -174.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.71 129.86 47.97 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.796 174.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.4 mt -110.9 120.02 41.0 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.884 -0.51 . . . . 0.0 110.004 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.701 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.5 ttt180 -95.88 124.08 39.74 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.741 -0.599 . . . . 0.0 109.799 176.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.566 HD13 ' O ' ' A' ' 22' ' ' ARG . 22.9 tp -102.19 148.1 25.83 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.632 -0.668 . . . . 0.0 110.784 -174.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -7.56 15.03 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.905 -0.497 . . . . 0.0 111.953 -174.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -86.85 29.35 0.81 Allowed 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.037 -1.039 . . . . 0.0 110.982 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.2 t70 61.41 27.78 17.31 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.05 -1.031 . . . . 0.0 110.516 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.3 m -120.45 141.86 49.77 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.466 -0.771 . . . . 0.0 110.112 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -128.91 145.49 51.21 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.681 -0.637 . . . . 0.0 110.241 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -143.99 142.07 30.51 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.68 -0.638 . . . . 0.0 110.577 -178.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 97.4 p -110.02 118.8 37.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.787 -0.571 . . . . 0.0 109.855 176.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.7 mt -129.02 130.96 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.586 -0.696 . . . . 0.0 109.493 -177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.081 HG22 HD12 ' A' ' 34' ' ' ILE . 39.4 t -72.35 136.35 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.458 ' HB ' HD12 ' A' ' 52' ' ' ILE . 64.8 p -62.57 -24.68 67.67 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.604 -0.685 . . . . 0.0 111.331 -173.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -57.59 -25.02 59.42 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.322 -0.861 . . . . 0.0 110.934 -175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -86.99 8.42 23.37 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.413 -0.805 . . . . 0.0 111.31 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.702 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.9 113.01 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.073 0 O-C-N 121.137 -0.977 . . . . 0.0 109.783 175.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -80.22 -39.67 28.64 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 120.086 -0.646 . . . . 0.0 109.843 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.609 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.4 155.92 37.28 Favored 'General case' 0 N--CA 1.504 2.231 0 C-N-CA 120.1 -0.64 . . . . 0.0 110.666 -176.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.626 HD11 HG21 ' A' ' 52' ' ' ILE . 14.9 mt -134.58 144.12 47.75 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.607 -0.683 . . . . 0.0 110.936 -177.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -147.1 158.16 43.85 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.755 -0.59 . . . . 0.0 109.749 171.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.523 HG12 HG12 ' A' ' 11' ' ' VAL . 78.9 mt -114.99 129.97 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 O-C-N 121.636 -0.665 . . . . 0.0 109.433 176.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.4 mt -82.5 162.9 54.46 Favored Pre-proline 0 N--CA 1.499 2.02 0 O-C-N 121.673 -0.642 . . . . 0.0 110.022 -175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -61.3 144.46 98.61 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 O-C-N 123.671 1.353 . . . . 0.0 110.725 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.11 31.89 3.17 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.669 -0.644 . . . . 0.0 110.328 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -136.88 159.91 40.47 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.53 -0.731 . . . . 0.0 110.306 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -135.59 131.83 36.38 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.622 -0.674 . . . . 0.0 110.154 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 84.3 mt -90.39 -48.08 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.625 -0.672 . . . . 0.0 109.752 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.3 mtt -114.37 160.74 31.69 Favored Pre-proline 0 N--CA 1.497 1.894 0 O-C-N 121.662 -0.649 . . . . 0.0 110.253 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -65.76 127.3 17.6 Favored 'Trans proline' 0 N--CA 1.488 1.193 0 O-C-N 123.671 1.353 . . . . 0.0 110.475 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -66.37 -40.06 89.49 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.765 -0.584 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 40.1 p-10 -145.1 -176.35 5.06 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.72 -0.613 . . . . 0.0 110.377 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.93 -171.34 16.07 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.0 t -64.06 -30.9 71.94 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.689 -0.889 . . . . 0.0 110.588 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -137.36 -63.15 0.6 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.599 -0.688 . . . . 0.0 110.166 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.3 p -140.74 156.83 68.77 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.761 -0.587 . . . . 0.0 110.166 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -67.41 142.45 59.78 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 O-C-N 123.656 1.345 . . . . 0.0 110.362 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.4 p -130.31 151.61 50.62 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.672 -0.642 . . . . 0.0 110.259 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.7 p -129.57 164.3 24.13 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.642 -0.661 . . . . 0.0 110.182 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 t30 53.96 -178.49 0.03 OUTLIER 'General case' 0 N--CA 1.506 2.332 0 O-C-N 121.509 -0.744 . . . . 0.0 110.902 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.536 ' HB2' HD11 ' A' ' 79' ' ' LEU . 68.2 m -97.02 154.98 16.99 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.598 -0.689 . . . . 0.0 110.248 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 m -117.99 169.11 9.92 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.666 -0.647 . . . . 0.0 110.155 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 72.8 mttt 54.43 47.36 23.03 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 121.549 -0.72 . . . . 0.0 110.879 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 76' ' ' SER . 79.2 mt -93.14 135.75 34.04 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.548 -0.72 . . . . 0.0 110.117 178.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -101.69 120.97 41.18 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.722 -0.611 . . . . 0.0 110.21 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.7 t -67.38 -31.93 72.49 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.734 -0.604 . . . . 0.0 110.496 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.92 77.11 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.657 -0.652 . . . . 0.0 110.567 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -105.2 119.38 38.91 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.663 -0.648 . . . . 0.0 110.274 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.6 m -69.44 -37.38 77.34 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.666 -0.646 . . . . 0.0 110.082 179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -120.55 159.77 24.56 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.683 -0.635 . . . . 0.0 110.269 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -95.97 146.35 24.68 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.715 -0.616 . . . . 0.0 110.146 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 89.8 p -114.77 158.41 21.9 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.666 -0.646 . . . . 0.0 110.272 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -69.64 146.68 51.48 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.781 -0.574 . . . . 0.0 110.124 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.07 136.17 33.58 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.719 -0.613 . . . . 0.0 110.179 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -64.74 -33.08 75.12 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.745 -0.597 . . . . 0.0 110.5 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -97.44 142.48 29.24 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.665 -0.647 . . . . 0.0 110.325 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 90.2 p -98.53 167.71 10.64 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.786 -0.571 . . . . 0.0 110.229 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 90.5 mtp -84.4 134.54 34.47 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.743 -0.598 . . . . 0.0 110.135 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -89.06 132.97 34.53 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.715 -0.616 . . . . 0.0 110.162 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 96.9 m -89.25 -40.46 12.81 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.67 -0.644 . . . . 0.0 110.2 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -144.5 146.79 32.6 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.71 -0.619 . . . . 0.0 110.129 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -112.21 154.67 25.22 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.627 -0.67 . . . . 0.0 110.136 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -104.45 150.47 24.53 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.724 -0.61 . . . . 0.0 110.201 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -146.25 -62.77 0.31 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.665 -0.647 . . . . 0.0 110.37 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -65.03 -39.2 93.04 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.71 -0.619 . . . . 0.0 110.44 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -119.31 143.96 47.08 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.741 -0.599 . . . . 0.0 110.334 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -105.14 -34.49 7.92 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.713 -0.617 . . . . 0.0 110.16 178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.4 158.53 43.6 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.759 -0.588 . . . . 0.0 110.114 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -95.72 107.15 19.34 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.693 -0.629 . . . . 0.0 110.242 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.74 -33.32 74.64 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.717 -0.614 . . . . 0.0 110.411 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -94.78 -170.31 2.2 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.604 -0.685 . . . . 0.0 110.302 -177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 57.22 -82.18 0.02 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 O-C-N 122.017 -0.427 . . . . 0.0 111.363 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -99.26 126.67 45.13 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.153 -0.967 . . . . 0.0 110.378 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 52.7 -177.52 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.345 0 O-C-N 121.633 -0.667 . . . . 0.0 111.272 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -162.25 130.31 4.03 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.665 -0.647 . . . . 0.0 110.262 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -97.5 -46.78 5.91 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.601 -0.687 . . . . 0.0 110.246 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 52.42 72.83 0.38 Allowed 'General case' 0 N--CA 1.505 2.277 0 O-C-N 121.612 -0.68 . . . . 0.0 110.992 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 115' ' ' ALA . 50.0 t -118.01 130.3 73.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.471 -0.768 . . . . 0.0 109.723 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -68.77 -42.67 77.11 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.709 -0.619 . . . . 0.0 110.255 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 113' ' ' VAL . . . -101.65 153.33 19.86 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.634 -0.666 . . . . 0.0 110.306 -178.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -97.28 150.57 20.8 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.705 -0.622 . . . . 0.0 110.218 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -66.84 -32.62 74.02 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.739 -0.6 . . . . 0.0 110.464 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -101.33 148.49 25.08 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.709 -0.62 . . . . 0.0 110.264 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -110.98 161.83 15.46 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.688 -0.632 . . . . 0.0 110.18 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -82.68 133.8 35.16 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.713 -0.617 . . . . 0.0 110.177 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.332 -179.856 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -104.58 -42.34 5.45 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.679 -0.894 . . . . 0.0 110.255 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.71 -34.01 77.31 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.732 -0.605 . . . . 0.0 110.551 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 86.16 63.2 1.52 Allowed Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mtp 53.3 -179.15 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.335 0 O-C-N 121.561 -0.964 . . . . 0.0 111.2 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -130.02 156.85 43.8 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.528 -0.732 . . . . 0.0 110.31 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.8 -27.41 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 O-C-N 121.726 -0.609 . . . . 0.0 110.251 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.46 -26.89 67.11 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.459 -0.776 . . . . 0.0 110.807 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.97 -38.89 92.92 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.583 -0.698 . . . . 0.0 110.363 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' O ' HD12 ' A' ' 25' ' ' ILE . 97.7 m-85 -78.56 -30.49 46.88 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.681 -0.637 . . . . 0.0 110.287 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -63.59 127.09 29.77 Favored 'General case' 0 N--CA 1.503 2.178 0 O-C-N 121.63 -0.669 . . . . 0.0 110.194 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.73 1.69 90.58 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -87.18 151.39 23.22 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.076 -1.249 . . . . 0.0 110.095 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -95.56 114.82 26.61 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.588 -0.695 . . . . 0.0 110.014 177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.548 HG12 HG12 ' A' ' 57' ' ' ILE . 27.0 m -132.68 164.37 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.865 -0.522 . . . . 0.0 109.654 178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HB2' HD11 ' A' ' 58' ' ' LEU . 49.9 tt0 -118.64 146.07 44.95 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.543 -0.723 . . . . 0.0 109.669 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.704 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.3 p -132.32 141.82 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 109.82 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD22 ' HB3' ' A' ' 20' ' ' LYS . 3.7 mt -92.66 136.08 33.53 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.1 -1.04 . . . . 0.0 109.312 166.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.6 mt -86.45 173.18 9.81 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 119.636 -0.826 . . . . 0.0 109.809 175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -56.76 -21.69 30.21 Favored 'General case' 0 N--CA 1.507 2.405 0 O-C-N 121.644 -0.66 . . . . 0.0 111.448 -175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -95.71 24.84 5.0 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.506 -0.746 . . . . 0.0 111.026 -178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 59.11 26.61 15.35 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.257 -0.902 . . . . 0.0 110.91 171.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.4 p -101.73 142.62 32.78 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.468 -0.77 . . . . 0.0 109.28 169.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HB3' HD22 ' A' ' 14' ' ' LEU . 21.0 pttm -109.88 138.82 45.71 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.541 -0.725 . . . . 0.0 110.97 -174.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.03 149.03 39.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.781 -0.575 . . . . 0.0 109.934 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 33.9 ptt180 -137.03 155.17 50.02 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.556 -0.715 . . . . 0.0 110.448 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' HD13 ' A' ' 39' ' ' LEU . . . 178.69 -179.8 48.67 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 176.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -92.61 132.65 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.615 -0.933 . . . . 0.0 109.358 177.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 6' ' ' PHE . 59.1 mt -65.09 135.95 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 O-C-N 121.686 -0.634 . . . . 0.0 110.227 -177.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' ' 38' ' ' ARG . 35.0 p -125.09 -15.46 6.32 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.965 -0.459 . . . . 0.0 111.602 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -157.51 152.25 25.38 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.957 -1.09 . . . . 0.0 110.983 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -149.16 134.92 18.78 Favored 'General case' 0 N--CA 1.494 1.754 0 CA-C-O 121.081 0.467 . . . . 0.0 109.765 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -122.06 125.22 45.76 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.725 -0.61 . . . . 0.0 109.605 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.3 p -78.86 -32.87 46.16 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.75 -0.593 . . . . 0.0 110.781 -175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.3 p -68.61 -34.58 76.01 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.683 -0.636 . . . . 0.0 110.606 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -124.02 -0.86 8.35 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.644 -0.66 . . . . 0.0 111.47 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.8 m 53.08 67.04 1.06 Allowed 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.033 -1.042 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.044 HD12 HG22 ' A' ' 48' ' ' VAL . 45.1 mm -119.78 134.32 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 O-C-N 121.586 -0.696 . . . . 0.0 109.545 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 37' ' ' LEU . 10.4 tp -126.6 124.76 40.66 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.511 -0.743 . . . . 0.0 110.369 -173.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -97.07 127.07 42.68 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.835 -0.541 . . . . 0.0 109.573 172.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 HD21 ' A' ' 35' ' ' LEU . 55.1 mt -110.93 125.55 53.79 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.698 -0.626 . . . . 0.0 110.218 179.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB2' HG21 ' A' ' 26' ' ' THR . 72.3 ttt180 -111.49 119.9 40.32 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.759 -0.588 . . . . 0.0 109.996 177.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA2' ' A' ' 23' ' ' GLY . 67.1 tp -101.85 157.71 16.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.657 -0.652 . . . . 0.0 110.507 -174.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.47 -2.18 8.15 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.923 -0.486 . . . . 0.0 112.145 -171.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -86.9 26.84 1.08 Allowed 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.991 -1.068 . . . . 0.0 111.014 173.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t70 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.14 -0.975 . . . . 0.0 110.467 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.2 m -123.39 138.19 54.65 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.379 -0.826 . . . . 0.0 110.241 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -132.26 147.17 52.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.721 -0.612 . . . . 0.0 110.2 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -144.02 142.01 30.45 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.627 -0.671 . . . . 0.0 110.778 -178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.2 p -100.52 116.33 32.22 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.795 -0.566 . . . . 0.0 109.963 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 83.8 mt -129.59 132.64 66.1 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.662 -0.649 . . . . 0.0 109.525 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.044 HG22 HD12 ' A' ' 34' ' ' ILE . 39.9 t -72.6 137.34 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.638 -0.664 . . . . 0.0 109.27 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 52' ' ' ILE . 62.7 p -64.0 -24.67 67.81 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.558 -0.714 . . . . 0.0 111.25 -174.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -59.11 -25.34 63.74 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.23 -0.919 . . . . 0.0 110.786 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -89.11 12.3 16.12 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.478 -0.764 . . . . 0.0 111.264 176.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.704 HG23 ' CG2' ' A' ' 13' ' ' VAL . 96.7 mt -73.24 112.96 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 O-C-N 121.186 -0.946 . . . . 0.0 109.664 172.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -79.37 -40.35 30.37 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 119.943 -0.703 . . . . 0.0 109.889 170.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.613 ' O ' HG23 ' A' ' 13' ' ' VAL . 59.8 m-20 -153.64 155.95 37.0 Favored 'General case' 0 N--CA 1.504 2.273 0 C-N-CA 120.086 -0.646 . . . . 0.0 110.77 -175.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 52' ' ' ILE . 16.4 mt -134.95 144.27 47.35 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.647 -0.658 . . . . 0.0 110.946 -177.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -148.51 159.05 44.44 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.801 -0.562 . . . . 0.0 109.646 172.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG12 HG12 ' A' ' 11' ' ' VAL . 71.5 mt -109.29 130.08 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.516 -0.74 . . . . 0.0 109.503 176.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 12' ' ' GLU . 41.6 mt -82.98 159.47 62.75 Favored Pre-proline 0 N--CA 1.498 1.974 0 O-C-N 121.719 -0.613 . . . . 0.0 110.196 -175.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -64.79 174.27 4.79 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 O-C-N 123.709 1.373 . . . . 0.0 110.613 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -69.27 166.84 17.62 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.767 -0.583 . . . . 0.0 110.216 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -95.58 48.03 1.13 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.698 -0.627 . . . . 0.0 110.177 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -64.24 -33.11 75.06 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.47 -0.769 . . . . 0.0 110.303 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 82.7 mt -112.88 138.86 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.642 -0.661 . . . . 0.0 109.44 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 8.4 tpt -68.0 117.09 45.37 Favored Pre-proline 0 N--CA 1.499 1.987 0 O-C-N 121.706 -0.621 . . . . 0.0 110.151 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -70.67 156.47 60.9 Favored 'Trans proline' 0 N--CA 1.487 1.112 0 O-C-N 123.378 1.199 . . . . 0.0 110.322 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -70.04 134.8 48.64 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.701 -0.624 . . . . 0.0 109.953 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -98.05 134.39 41.21 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.685 -0.635 . . . . 0.0 110.074 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.5 79.96 0.37 Allowed Glycine 0 N--CA 1.494 2.545 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.5 m -62.84 -39.49 94.52 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.602 -0.94 . . . . 0.0 110.374 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.86 89.48 2.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.713 -0.617 . . . . 0.0 110.193 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.2 p -134.86 81.16 47.14 Favored Pre-proline 0 N--CA 1.494 1.758 0 O-C-N 121.593 -0.692 . . . . 0.0 110.15 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -65.84 -28.81 50.76 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 O-C-N 123.543 1.286 . . . . 0.0 110.824 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.6 p -65.0 -30.69 71.69 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.46 -0.775 . . . . 0.0 110.729 -178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.7 p -125.07 158.2 34.37 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.495 -0.753 . . . . 0.0 110.493 -178.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -131.79 126.55 34.65 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.682 -0.636 . . . . 0.0 110.028 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.7 t -114.15 140.43 48.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.64 -0.662 . . . . 0.0 110.319 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 37.4 p -114.35 29.81 7.75 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.681 -0.637 . . . . 0.0 110.516 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.6 mttp 52.78 32.49 12.3 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.491 -0.755 . . . . 0.0 110.991 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.5 tp -69.12 -42.91 75.42 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.658 -0.651 . . . . 0.0 110.224 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -67.35 -38.03 84.16 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 121.704 -0.622 . . . . 0.0 110.419 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.4 p -66.63 -27.81 67.98 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.693 -0.629 . . . . 0.0 110.63 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.99 79.13 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.485 -0.759 . . . . 0.0 110.564 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -123.08 131.36 53.66 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 110.201 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 37.0 p -130.87 146.43 52.3 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.692 -0.63 . . . . 0.0 110.213 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -69.0 -41.02 78.36 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.613 -0.679 . . . . 0.0 110.122 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.1 t -118.27 146.54 44.22 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.732 -0.605 . . . . 0.0 110.276 -178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.0 t -71.07 160.9 32.06 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.77 -0.582 . . . . 0.0 110.082 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -125.81 33.16 5.14 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.646 -0.659 . . . . 0.0 110.438 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.58 97.73 7.35 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.679 -0.638 . . . . 0.0 110.186 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -141.79 122.79 14.57 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.698 -0.626 . . . . 0.0 110.195 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 18.9 p90 -148.24 157.27 43.4 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.726 -0.609 . . . . 0.0 110.275 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.8 p -96.95 -65.27 0.97 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.684 -0.635 . . . . 0.0 110.099 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 57.2 mtt -147.34 30.12 0.94 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.653 -0.655 . . . . 0.0 110.379 178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -101.65 132.86 47.1 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.635 -0.666 . . . . 0.0 110.255 -179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 4.2 t 57.95 166.39 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 O-C-N 121.593 -0.692 . . . . 0.0 110.997 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -163.27 155.84 18.44 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.584 -0.698 . . . . 0.0 110.248 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -128.09 138.03 52.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.691 -0.631 . . . . 0.0 110.049 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -68.33 -38.46 81.56 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.715 -0.616 . . . . 0.0 110.232 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -109.99 132.26 54.32 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.679 . . . . 0.0 110.295 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -106.95 121.82 45.2 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.653 -0.654 . . . . 0.0 110.283 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -68.6 -45.03 73.04 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.619 -0.676 . . . . 0.0 110.29 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -111.67 140.96 45.87 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.601 -0.687 . . . . 0.0 110.255 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.63 149.26 18.35 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.688 -0.632 . . . . 0.0 110.302 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -127.41 -66.76 0.87 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.694 -0.629 . . . . 0.0 110.19 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 105' ' ' LEU . 4.6 mm? 51.74 84.11 0.05 OUTLIER 'General case' 0 N--CA 1.505 2.317 0 O-C-N 121.587 -0.695 . . . . 0.0 110.976 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -123.99 144.39 49.84 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.57 -0.706 . . . . 0.0 110.126 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.0 mttp -65.71 -34.89 79.25 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.619 -0.675 . . . . 0.0 110.326 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -118.66 153.9 33.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.64 -0.662 . . . . 0.0 110.15 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -153.23 165.83 34.47 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.732 -0.605 . . . . 0.0 110.196 -179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -69.91 134.43 48.4 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.716 -0.615 . . . . 0.0 110.02 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -96.29 137.2 35.71 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.66 -0.65 . . . . 0.0 110.285 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -130.82 161.15 32.42 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.694 -0.629 . . . . 0.0 110.14 179.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.4 t -105.54 129.53 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.687 -0.633 . . . . 0.0 109.661 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -130.08 151.73 50.3 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.683 -0.636 . . . . 0.0 110.257 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -97.88 136.42 38.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.709 -0.619 . . . . 0.0 110.107 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -158.47 34.58 0.23 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.663 -0.648 . . . . 0.0 110.413 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -64.57 -39.08 93.1 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.662 -0.649 . . . . 0.0 110.32 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -63.31 -35.98 82.17 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.693 -0.63 . . . . 0.0 110.423 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.53 -35.27 80.38 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.763 -0.585 . . . . 0.0 110.377 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 57.2 mttm -65.22 -34.18 77.76 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.67 -0.644 . . . . 0.0 110.362 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.113 -179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.52 -83.0 0.02 OUTLIER 'General case' 0 N--CA 1.508 2.444 0 O-C-N 121.787 -0.831 . . . . 0.0 111.088 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.8 ptp -142.98 33.69 1.37 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.225 -0.922 . . . . 0.0 110.422 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -67.43 -41.22 91.07 Favored Glycine 0 N--CA 1.495 2.572 0 N-CA-C 109.734 -1.346 . . . . 0.0 109.734 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp -131.61 153.76 49.58 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.671 -0.9 . . . . 0.0 110.072 179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 m -121.94 150.65 41.71 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.67 -0.644 . . . . 0.0 110.251 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -66.4 -31.17 52.38 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 121.731 -0.605 . . . . 0.0 110.106 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.65 70.8 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 121.524 -0.735 . . . . 0.0 110.629 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -64.34 -39.83 94.66 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.563 -0.711 . . . . 0.0 110.369 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -69.23 -33.48 73.36 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.685 -0.635 . . . . 0.0 110.069 178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -68.98 129.62 40.45 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.662 -0.649 . . . . 0.0 109.894 177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.61 -3.05 87.36 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 t -87.18 146.95 25.81 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.179 -1.189 . . . . 0.0 110.061 179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.467 ' OD1' HG22 ' A' ' 24' ' ' VAL . 12.4 m-80 -91.67 114.87 27.52 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.676 -0.64 . . . . 0.0 110.103 178.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.6 m -127.62 157.93 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.744 -0.597 . . . . 0.0 109.751 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -118.63 145.97 45.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.478 -0.764 . . . . 0.0 109.502 173.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.862 ' CG2' HG23 ' A' ' 52' ' ' ILE . 12.1 p -136.55 142.9 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.614 -0.678 . . . . 0.0 109.749 178.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD22 ' HG2' ' A' ' 20' ' ' LYS . 2.5 mt -95.31 136.13 36.05 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 119.128 -1.029 . . . . 0.0 109.427 169.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.1 mt -83.73 177.36 8.4 Favored 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 119.897 -0.721 . . . . 0.0 109.954 176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -57.98 -21.85 46.55 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.805 -0.559 . . . . 0.0 111.523 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -98.72 24.33 7.68 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.52 -0.737 . . . . 0.0 111.156 -176.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 57.81 25.66 12.23 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.325 -0.859 . . . . 0.0 110.74 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.2 p -97.61 133.42 42.18 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.721 ' HG2' HD22 ' A' ' 14' ' ' LEU . 36.8 mttt -109.68 139.12 45.1 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.5 -0.75 . . . . 0.0 110.422 -170.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.08 146.15 35.11 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.81 -0.556 . . . . 0.0 110.02 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.581 ' O ' HD13 ' A' ' 39' ' ' LEU . 33.0 ptt180 -138.64 147.45 42.9 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.555 -0.716 . . . . 0.0 110.441 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.81 -172.54 44.82 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.467 HG22 ' OD1' ' A' ' 10' ' ' ASN . 61.0 t -87.71 143.26 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.615 -0.932 . . . . 0.0 109.71 -177.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 93.4 mt -80.9 139.88 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.597 -0.689 . . . . 0.0 109.928 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.683 HG21 ' HB2' ' A' ' 38' ' ' ARG . 39.5 p -125.16 -36.22 2.54 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.596 -0.69 . . . . 0.0 111.545 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -138.58 145.79 41.02 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.031 -1.043 . . . . 0.0 111.068 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -149.07 127.48 12.25 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.872 -0.518 . . . . 0.0 109.603 172.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -122.06 122.09 38.48 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.639 -0.663 . . . . 0.0 110.116 -175.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 25.9 m -68.78 -29.76 68.2 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.792 -0.568 . . . . 0.0 110.768 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -60.33 -47.54 85.61 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.545 -0.722 . . . . 0.0 110.94 -175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -123.99 9.07 8.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.569 -0.707 . . . . 0.0 111.252 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 m 50.76 66.98 1.01 Allowed 'General case' 0 N--CA 1.507 2.378 0 O-C-N 121.274 -0.891 . . . . 0.0 110.911 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.037 HD12 HG22 ' A' ' 48' ' ' VAL . 45.4 mm -113.5 133.75 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.9 tp -125.4 123.83 40.15 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.669 -0.645 . . . . 0.0 110.353 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -101.25 128.38 47.41 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.774 173.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.7 mt -110.94 120.01 40.98 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.827 -0.546 . . . . 0.0 109.935 177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.683 ' HB2' HG21 ' A' ' 26' ' ' THR . 71.6 ttt180 -98.06 126.26 43.41 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.714 -0.616 . . . . 0.0 109.857 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 22' ' ' ARG . 24.2 tp -102.18 147.65 26.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.601 -0.687 . . . . 0.0 110.84 -175.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.39 -8.94 15.06 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.932 -0.48 . . . . 0.0 111.859 -174.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -86.28 30.15 0.71 Allowed 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.079 -1.013 . . . . 0.0 111.013 176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 t0 61.65 27.81 17.13 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 120.97 -1.081 . . . . 0.0 110.568 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.5 m -121.53 139.1 53.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.313 -0.867 . . . . 0.0 110.014 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -132.36 143.87 50.14 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.684 -0.635 . . . . 0.0 110.194 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -144.09 141.99 30.36 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.803 -0.56 . . . . 0.0 110.509 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.2 p -106.32 121.06 43.47 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.75 -0.594 . . . . 0.0 109.92 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 82.1 mt -129.56 131.5 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.643 -0.661 . . . . 0.0 109.503 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG22 HD12 ' A' ' 34' ' ' ILE . 39.3 t -72.22 137.55 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.643 -0.661 . . . . 0.0 109.268 178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.405 ' HB ' HD12 ' A' ' 52' ' ' ILE . 74.1 p -61.47 -24.5 66.61 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.545 -0.722 . . . . 0.0 111.408 -172.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -57.53 -24.83 58.24 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.366 -0.834 . . . . 0.0 110.982 -175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -87.27 8.98 21.8 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.483 -0.761 . . . . 0.0 111.317 175.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.862 HG23 ' CG2' ' A' ' 13' ' ' VAL . 87.6 mt -78.03 113.0 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 O-C-N 121.148 -0.97 . . . . 0.0 109.789 174.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -81.75 -39.55 23.99 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 120.096 -0.642 . . . . 0.0 110.064 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 62.8 m-20 -152.66 144.65 23.73 Favored 'General case' 0 N--CA 1.502 2.174 0 O-C-N 121.621 -0.674 . . . . 0.0 110.88 -173.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD11 HG21 ' A' ' 52' ' ' ILE . 13.9 mt -124.69 144.21 50.34 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.744 -0.597 . . . . 0.0 110.87 -176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -144.93 156.79 44.17 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.722 -0.611 . . . . 0.0 109.762 170.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 78.2 mt -114.98 129.96 70.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.609 -0.682 . . . . 0.0 109.456 176.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.1 mt -82.07 120.93 78.45 Favored Pre-proline 0 N--CA 1.498 1.944 0 O-C-N 121.639 -0.663 . . . . 0.0 109.817 -175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -61.93 140.48 85.14 Favored 'Trans proline' 0 N--CA 1.491 1.376 0 O-C-N 123.294 1.155 . . . . 0.0 110.79 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.16 -60.66 1.68 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.727 -0.608 . . . . 0.0 110.071 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -140.61 -59.96 0.51 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.828 -0.545 . . . . 0.0 110.152 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -121.25 151.8 39.59 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.638 -0.664 . . . . 0.0 110.148 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 63' ' ' ILE . 11.1 tt -146.15 53.39 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.654 -0.654 . . . . 0.0 110.163 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.7 mtp -114.12 158.64 38.96 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.611 -0.68 . . . . 0.0 110.16 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -66.31 -32.75 40.86 Favored 'Trans proline' 0 N--CA 1.489 1.249 0 O-C-N 123.702 1.37 . . . . 0.0 110.509 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -112.54 125.05 53.83 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.7 -0.625 . . . . 0.0 110.204 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -120.76 148.61 43.75 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.62 -0.675 . . . . 0.0 110.247 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.78 47.73 8.43 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -64.77 -40.64 95.6 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.653 -0.91 . . . . 0.0 110.312 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -136.53 32.29 2.79 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.61 -0.681 . . . . 0.0 110.398 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -146.65 162.56 33.4 Favored Pre-proline 0 N--CA 1.494 1.771 0 O-C-N 121.643 -0.66 . . . . 0.0 110.186 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -62.28 150.95 85.15 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 O-C-N 123.642 1.338 . . . . 0.0 110.656 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.9 m -68.6 153.6 43.46 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.712 -0.617 . . . . 0.0 110.194 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.8 m -125.7 140.15 52.95 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.607 -0.683 . . . . 0.0 110.16 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -103.52 150.93 23.44 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.657 -0.652 . . . . 0.0 110.075 179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.2 t -102.47 136.0 43.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.732 -0.605 . . . . 0.0 110.176 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 79' ' ' LEU . 9.4 t -144.52 168.54 19.89 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.704 -0.622 . . . . 0.0 110.376 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.35 -31.93 72.64 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.647 -0.658 . . . . 0.0 110.597 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 77' ' ' THR . 82.1 mt -87.5 146.8 25.65 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.697 -0.627 . . . . 0.0 110.174 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -90.26 159.97 16.41 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.683 -0.636 . . . . 0.0 110.243 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.3 m -61.51 -31.04 71.02 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 121.669 -0.644 . . . . 0.0 110.637 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.57 -31.37 72.51 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.554 -0.716 . . . . 0.0 110.449 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -96.76 176.73 5.88 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.619 -0.676 . . . . 0.0 110.097 178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.5 p -69.08 149.56 48.57 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.617 -0.677 . . . . 0.0 110.11 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -91.42 -61.23 1.69 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.651 -0.656 . . . . 0.0 110.227 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 t -150.33 131.86 14.8 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.654 -0.653 . . . . 0.0 110.243 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.2 m -131.58 146.4 52.19 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.694 -0.629 . . . . 0.0 110.256 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -148.61 32.11 0.79 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.661 -0.649 . . . . 0.0 110.176 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -150.34 -47.35 0.13 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.573 -0.704 . . . . 0.0 110.102 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -97.98 163.54 12.73 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.762 -0.586 . . . . 0.0 110.201 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 70.3 t-105 -95.2 142.74 27.27 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.629 -0.669 . . . . 0.0 110.167 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 47.6 m -67.83 155.09 40.13 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.734 -0.604 . . . . 0.0 110.249 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 74.2 mtm -119.98 150.77 39.99 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.76 -0.587 . . . . 0.0 110.223 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -93.83 144.86 25.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.658 -0.651 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 5.1 t -125.47 124.17 40.82 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.707 -0.62 . . . . 0.0 110.114 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -66.24 -39.44 89.54 Favored 'General case' 0 N--CA 1.5 2.071 0 O-C-N 121.688 -0.632 . . . . 0.0 110.459 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -122.38 146.53 47.25 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.685 -0.634 . . . . 0.0 110.256 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -114.73 135.41 54.2 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.694 -0.629 . . . . 0.0 110.078 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -74.32 -31.95 62.65 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.649 -0.657 . . . . 0.0 110.414 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -84.93 128.88 34.82 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.609 -0.682 . . . . 0.0 110.042 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -123.74 161.41 25.22 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.621 -0.675 . . . . 0.0 110.335 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.35 155.67 18.09 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.612 -0.68 . . . . 0.0 110.193 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.72 -32.9 74.7 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.696 -0.628 . . . . 0.0 110.417 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -104.02 91.98 4.19 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.659 -0.65 . . . . 0.0 110.115 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.7 tp -153.59 119.3 5.29 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.721 -0.612 . . . . 0.0 110.194 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -140.73 107.67 5.42 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.621 -0.674 . . . . 0.0 110.223 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 52.03 -174.44 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.377 0 O-C-N 121.676 -0.64 . . . . 0.0 111.104 179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -118.79 149.01 42.23 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.699 -0.625 . . . . 0.0 110.205 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 130.92 34.52 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.699 -0.626 . . . . 0.0 110.158 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.78 140.56 38.63 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.632 -0.668 . . . . 0.0 110.28 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -98.17 151.42 20.44 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.727 -0.608 . . . . 0.0 110.067 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -95.35 101.86 13.62 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.588 -0.695 . . . . 0.0 110.204 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.15 163.81 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.013 0 O-C-N 121.724 -0.61 . . . . 0.0 110.068 179.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -98.36 124.4 42.99 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.721 -0.612 . . . . 0.0 110.175 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . 51.76 89.83 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.292 0 O-C-N 121.662 -0.649 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -70.25 -35.9 74.12 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.653 -0.654 . . . . 0.0 110.138 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -67.22 -39.97 86.33 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.643 -0.661 . . . . 0.0 110.443 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 52.98 -179.61 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.586 -0.696 . . . . 0.0 111.179 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.31 -39.48 78.24 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.629 -0.67 . . . . 0.0 110.096 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -138.35 131.23 29.65 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.757 -0.589 . . . . 0.0 110.14 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.358 -179.947 . . . . . . . . 0 0 . 1 stop_ save_